⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28547142 | 0.57 | — | — | |
| SCHEMBL31327424 | 0.54 | — | — | |
| SCHEMBL16471747 | 0.53 | — | — | |
| SCHEMBL5664795 | 0.49 | — | — | |
| SCHEMBL15504739 | 0.47 | — | — | |
| SCHEMBL10973425 | 0.45 | — | — | |
| SCHEMBL4094369 | 0.42 | — | — | |
| SCHEMBL14304241 | 0.41 | — | — | |
| SCHEMBL6718539 | 0.41 | — | — | |
| Hydrochloric Acid SCHEMBL18662885 | 0.40 | — | — |
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-6464732-B2 | HAIR DYE MIXTURE | L'OREAL S.A. (FR) | 2002-10-15 | — | — | US | claimed |