- Bioactives
- High-Throughput-Screening
- Fragment Screening
- Monomers
- Chemical Probes
Overcome your drug discovery challenges with Thermo Fisher Scientific's comprehensive portfolio for small molecule drug discovery. Our range of bioactive molecules can help you select the right assay, then our highly diverse screening libraries provide a higher chance of Hit identification. After which our expansive collection of building blocks and reagents enable you to optimize your hits through Structure Activity Relationship (SAR). Working with a single partner simplifies your discovery process, enhancing efficiency and reproducibility.
Bioactives
Small molecules are crucial throughout the drug development lifecycle, from target identification and mechanistic studies to lead optimization, preclinical validation, and translational research. Their versatility makes them indispensable in both hypothesis-driven research and phenotypic discovery.
At Thermo Scientific, our compound collections—including bioactive molecules, antibiotics, and signal transduction molecules—are used across various development phases in both exploratory studies and targeted assays designed to probe specific pathways or disease mechanisms.
Modern drug discovery favors strategic compound selection using smaller, curated libraries with known bioactivity or target relevance. This quality-over-quantity approach reduces costs, minimizes false positives, and improves translational outcomes.
These molecules are essential in developing therapeutics for:
- Oncology: where pathway-specific inhibitors block tumor proliferation
- Cardiovascular Disease: where ion channel modulators and vasodilators are under investigation
- Anti-infectives: where novel antibiotics address rising resistance
- Neurological Disorders: where small molecules elucidate neurochemical pathways and modulate neuronal function
Whether you're mapping signaling cascades, validating drug targets, or refining lead compounds, our small molecule tools provide high-impact data and accelerate decision-making throughout discovery and development.
Our Solutions
Benefit
- Better Data, Faster: A focused yet functionally rich compound library improves the quality of data generated while reducing unnecessary complexity and cost.
- Smarter Discovery: Small molecules with validated bioactivity and drug-like properties increase the likelihood of success in early- and mid-stage discovery workflows.
- Move Forward Quickly: Enables faster progress from target engagement to lead optimization, while supporting diverse applications across therapeutic research fields.
- Supports Your Research Area: Whether you're studying cancer, heart disease, infections, or the brain, these molecules are ready to support your work from basic biology to preclinical development.
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High-Throughput-Screening
Thermo Scientific™ Screening Collection: The choice of screening library can make or break a small-molecule drug discovery program in its early phases. Our screening libraries are designed to increase the probability of positive results while optimizing cost, time, and effort spent per project
Our Solutions
Benefit
- A smaller but highly diverse screening collection will provide a greater hit probability than larger, but less diverse libraries
- Screening compounds that have the right chemical properties is more likely to achieve successful results faster and at a lower cost
- This approach can accelerate your discovery campaigns by giving you an excellent starting point for Hit to Lead Optimization
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Fragment Screening
Fragment screening has become a method of choice in the quest for rapid identification of new lead molecules in drug discovery due to the higher hit probability and fewer fragments needing to be screened.
Our Solutions
Feature Benefits
- Rule of Three (Ro3) compliance delivers superior ADME attributes
- Exceptional diversity – Tanimoto similarity index of 0.66 based on standard Daylight fingerprinting
- PAINS Free – The library has been filtered to remove pan assay interference compounds (PAINS) avoiding false hits
- Experimentally measured solubility – guaranteed solubility of fragments in PBS buffer (1mM) ensures robust screening data and minimizes candidate attrition
- Optimised for SPR – in collaboration with Cytiva Healthcare a “Clean Screen” was run on a Biacore instrument to remove promiscuous binders
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Monomers (Building Blocks) for Hit to Lead Optimization
The availability of diverse and pharmacophorically relevant synthetic building blocks remains a critical success factor in the drug design process. Where key building blocks are not commercially available, in-house synthesis consumes vital time and can add considerable cost to the project.
Our focus is to provide medicinal chemists with the ideal building blocks for use in early-phase drug discovery in:
- Structure activity relationship (SAR) development
- Generating screening libraries for further hit identification/elaboration
Our extensive range of medicinally relevant building blocks are specifically designed for lead optimization through structure activity relationship (SAR) development.
Our Solutions
Feature Benefits
- We have > 25,000 building blocks containing over 300 different heterocyclic ring systems
- And support all synthetically useful functional groups
- We list all possible ring regioisomers
- And the compounds have minimal additional substitution
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Chemical Probes
Our range of chemical probes are selective small-molecule modulators of a protein’s function, designed to allow researchers to ask mechanistic and phenotypic questions about their molecular target in cell-based or animal research studies.
Chemical probes represent an important component in both academic and pharmaceutical drug discovery research and development. These compounds help reduce the technical and biological risks of pursuing a pathway or target before incurring the time and expense of drug development and clinical trials. Chemical probes are essential in the validation of new molecular targets for a therapeutic indication.
Our Solutions
Feature Benefits
- Biological properties include a known MoA, high in vitro potency, high selectivity, and demonstrated on-target effects in cells.
- Physicochemical properties include stability, solubility, membrane permeability, and a characterized, reproducible structure
- Excluded compounds with pan-assay interference (PAINS) properties, such as covalent reactivity, redox activity, and colloidal aggregation
