⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5427411 | 0.91 | — | — | |
| SCHEMBL5433790 | 0.83 | HTR2C (0.33) | — | |
| SCHEMBL5421688 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL5415868 | 0.81 | — | — | |
| SCHEMBL5418741 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL5423597 | 0.80 | MAP3K12 (0.30) | — | |
| SCHEMBL5423811 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL14445349 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL5429938 | 0.79 | CHRM2 (0.33) | — | |
| SCHEMBL5416393 | 0.79 | CHRM2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7250063-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2007-07-31 | — | — | US | disclosed |
| US-7250063-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2007-07-31 | — | — | US | disclosed |
| US-7250063-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2007-07-31 | — | — | US | disclosed |