⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30695752 | 0.84 | — | — | |
| SCHEMBL5154215 | 0.84 | — | — | |
| SCHEMBL6440830 | 0.75 | HTR6 (0.31) | — | |
| SCHEMBL6938316 | 0.70 | ALOX5AP (0.41) | — | |
| SCHEMBL17460766 | 0.70 | PDK2 (0.34) | — | |
| SCHEMBL27440643 | 0.69 | SRD5A1 (0.34) | — | |
| SCHEMBL3440636 | 0.69 | SLC6A2 (0.39) | — | |
| SCHEMBL30666585 | 0.66 | ADORA1 (0.32) | — | |
| SCHEMBL29341169 | 0.66 | APLNR (0.34) | — | |
| SCHEMBL5685668 | 0.65 | PREP (0.35) | — |
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-9242928-B2 | Compound, kinesin spindle protein inhibitor, and application thereof | FUJITSU LIMITED (JP) | 2016-01-26 | — | — | US | disclosed |
| US-9242928-B2 | Compound, kinesin spindle protein inhibitor, and application thereof | FUJITSU LIMITED (JP) | 2016-01-26 | — | — | US | disclosed |