⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6068930 | 0.96 | — | — | |
| SCHEMBL6068603 | 0.87 | SLC29A1 (0.31) | — | |
| SCHEMBL6068649 | 0.78 | — | — | |
| SCHEMBL6068644 | 0.72 | — | — | |
| SCHEMBL6068926 | 0.71 | — | — | |
| SCHEMBL5420178 | 0.70 | — | — | |
| SCHEMBL6068850 | 0.70 | — | — | |
| SCHEMBL5418385 | 0.69 | CDK1 (0.30) | — | |
| SCHEMBL6068602 | 0.68 | — | — | |
| SCHEMBL5427364 | 0.65 | — | — |
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-7091350-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2006-08-15 | — | — | US | disclosed |