⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14191909 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL14191912 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL14191913 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL12213731 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL19319040 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL22166789 | 0.74 | — | — | |
| SCHEMBL21208282 | 0.74 | — | — | |
| SCHEMBL10239107 | 0.74 | — | — | |
| SCHEMBL12151848 | 0.74 | — | — | |
| SCHEMBL12257045 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7371747-B2 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2008-05-13 | — | — | US | disclosed |