Fragment screening has been an important tool to generate new potent leads. The screening generates high-quality results (i.e. new starting points) if correct fragment library has been utilized. For Chemspace Singleton Fragments, we have utilized approaches that allow a) to cover wide chemical space: fragment-likeness and diversity selection, and b) bring novelty (molecules with new Murco frameworks).
Please contact us at [email protected] for more details and if you are interested in the Make-on-Demand Singleton Fragments.
Compounds selection strategy:
- Comply Rule of 3, no PAINS and “toxic” moieties;
- New chemotypes (Tanimoto similarity to the nearest purchasable compound ≤ 0.45)
- Highly diverse set (Tanimoto similarity to the nearest compound within the set ≤ 0.5)
Availability:
- All compounds are in stock;
- Supplied as a full set or a cherry-picked selection;
- Formatting: powders, solutions (DMSO, 96-, 384-well plates)
