⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4027142 | 0.86 | CYP2D6 (0.34) | — | |
| SCHEMBL4024525 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL4024540 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL13720775 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL4749270 | 0.73 | KIF11 (0.35) | — | |
| SCHEMBL4749258 | 0.73 | KIF11 (0.35) | — | |
| SCHEMBL4025180 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL4019472 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL4338035 | 0.71 | KDM2B (0.41) | — | |
| SCHEMBL4338025 | 0.71 | KDM2B (0.41) | — |
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-7572814-B2 | 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds | CYTOKINETICS, INCORPORATED (US) | 2009-08-11 | — | — | US | disclosed |