⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5039819 | 0.81 | — | — | |
| SCHEMBL5041236 | 0.80 | ELANE (0.36) | — | |
| SCHEMBL5036870 | 0.76 | — | — | |
| SCHEMBL5040233 | 0.68 | — | — | |
| SCHEMBL5039287 | 0.61 | TRPM5 (0.31) | — | |
| SCHEMBL5039253 | 0.59 | TRPM5 (0.30) | — | |
| SCHEMBL5039829 | 0.59 | GAA (0.34) | — | |
| SCHEMBL5039952 | 0.58 | KDM1A (0.41) | — | |
| SCHEMBL20631046 | 0.58 | ALDH1A1 (0.30) | — | |
| SCHEMBL5041023 | 0.57 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1715840-B1 | KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES | PROCTER & GAMBLE (US) | 2008-12-03 | — | — | EP | claimed |