⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4024780 | 0.88 | KDM4E (0.34) | — | |
| SCHEMBL4028177 | 0.79 | CARM1 (0.35) | — | |
| SCHEMBL4023509 | 0.78 | CARM1 (0.31) | — | |
| SCHEMBL4019728 | 0.76 | TAS1R3 (0.36) | — | |
| SCHEMBL4019857 | 0.75 | MC4R (0.31) | — | |
| SCHEMBL4027811 | 0.74 | KDM1A (0.34) | — | |
| SCHEMBL4021154 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL4024718 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL13721491 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL4029054 | 0.73 | KDM2B (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572814-B2 | 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds | CYTOKINETICS, INCORPORATED (US) | 2009-08-11 | — | — | US | disclosed |
| US-20070161674-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2007-07-12 | — | — | US | disclosed |