⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9181713 | 0.73 | CA1 (0.53) | — | |
| SCHEMBL9627285 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL28302655 | 0.63 | ALDH1A1 (0.53) | — | |
| SCHEMBL430926 | 0.62 | GABRA1 (0.56) | — | |
| SCHEMBL25995157 | 0.59 | ALOX5 (0.43) | — | |
| SCHEMBL29059477 | 0.59 | HSPA5 (0.46) | — | |
| SCHEMBL30863753 | 0.58 | GPR84 (0.40) | — | |
| SCHEMBL25995192 | 0.58 | ALOX5 (0.46) | — | |
| SCHEMBL6404755 | 0.58 | GABRA1 (0.50) | — | |
| SCHEMBL15057210 | 0.58 | HSPA5 (0.34) | — |
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-5155122-A | Cyclooxygenase, lipoxygenase inhibitors | WARNER-LAMBERT COMPANY (US) | 1992-10-13 | — | — | US | claimed |