⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12221122 | 0.85 | CYP19A1 (0.30) | — | |
| SCHEMBL12243007 | 0.69 | — | — | |
| SCHEMBL12221069 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL13424516 | 0.62 | NEK6 (0.30) | — | |
| SCHEMBL133474 | 0.61 | GSK3A (0.39) | — | |
| SCHEMBL12267991 | 0.59 | NR1H3 (0.35) | — | |
| SCHEMBL13581410 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL21185523 | 0.57 | AURKA (0.31) | — | |
| SCHEMBL530530 | 0.57 | CASP3 (0.40) | — | |
| SCHEMBL21192000 | 0.56 | — | — |
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-8039532-B2 | Heterocyclic compound, ultraviolet absorbent and composition containing the same | FUJIFILM CORPORATION (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20100210762-A1 | HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME | FUJIFILM CORPORATION (JP) | 2010-08-19 | — | — | US | disclosed |