FieldStere

FieldStere helps you shorten your lead optimisation cycles by choosing the best next synthesis, fine-tuning portions of lead molecules and enabling scaffold switching to expand into new chemical space.

FieldStere finds bioisosteric lead molecules that share the same biological activity, but which have a range of different core scaffolds. FieldStere’s easy-to-use interface quickly generates a range of potential lead molecules from an initial 2D structure and helps you choose the most innovative and tractable leads with the properties you need. Because FieldStere uses Fields, not 2D structure, it can accurately identify structurally diverse bioisosteres with or without knowledge of the target protein’s structure.

FieldStere helps computational chemists to:

• Generate highly innovative ideas for lead molecules in new, areas of chemical space, overcoming the “chemotype trap”
• Find the right results quickly using new filters to find the mix of physicochemical properties and biological activity needed
• Tailor results to a specific synthesis by selecting the chemistry allowed for the replacement moieties, including a new “rings only” option
• Visualise results in detail side-by-side, or using powerful new tools to cluster similar chemical scaffolds
• Ensure that suggested molecules are synthesizable

FieldStere is easy enough to use every day to optimise your leads, and powerful enough to switch scaffolds completely while retaining the desired activity and ensuring that your candidate leads are free from known IP, ADME or toxicity issues.

FieldStere is available as software or via consultancy services. Please talk to George for more details.