⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5408705 | 0.89 | — | — | |
| SCHEMBL5406445 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL5399001 | 0.87 | — | — | |
| SCHEMBL5409807 | 0.87 | — | — | |
| SCHEMBL5441406 | 0.84 | MAP2K1 (0.33) | — | |
| SCHEMBL5410013 | 0.82 | — | — | |
| SCHEMBL5447124 | 0.82 | — | — | |
| SCHEMBL14357642 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL5435421 | 0.81 | — | — | |
| SCHEMBL14357666 | 0.80 | KDM4E (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300469-B2 | Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres | L'OREAL, SA (FR) | 2007-11-27 | — | — | US | claimed |
| US-7300469-B2 | Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres | L'OREAL, SA (FR) | 2007-11-27 | — | — | US | disclosed |
| US-7300469-B2 | Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres | L'OREAL, SA (FR) | 2007-11-27 | — | — | US | disclosed |
| US-7300469-B2 | Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres | L'OREAL, SA (FR) | 2007-11-27 | — | — | US | disclosed |