⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26078203 | 0.84 | CHRNA7 (0.32) | — | |
| SCHEMBL901345 | 0.84 | ATM (0.35) | — | |
| SCHEMBL2428126 | 0.84 | ATM (0.35) | — | |
| SCHEMBL9472426 | 0.81 | POLB (0.43) | — | |
| SCHEMBL29931277 | 0.77 | KMT2A (0.42) | — | |
| SCHEMBL26196666 | 0.77 | KMT2A (0.42) | — | |
| SCHEMBL18796531 | 0.77 | HRH3 (0.37) | — | |
| SCHEMBL1616959 | 0.77 | KMT2A (0.42) | — | |
| SCHEMBL357830 | 0.73 | ATM (0.34) | — | |
| SCHEMBL27873850 | 0.69 | CYP2D6 (0.46) | — |
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 |