⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5429791 | 0.87 | RPS6KA5 (0.31) | — | |
| SCHEMBL5425125 | 0.78 | — | — | |
| SCHEMBL6068345 | 0.74 | SMPD3 (0.33) | — | |
| SCHEMBL5423587 | 0.69 | HTR2C (0.43) | — | |
| SCHEMBL5402356 | 0.67 | FPR1 (0.34) | — | |
| SCHEMBL5424153 | 0.64 | LMNA (0.35) | — | |
| SCHEMBL5433865 | 0.64 | RPS6KA5 (0.31) | — | |
| SCHEMBL6572663 | 0.64 | — | — | |
| SCHEMBL5429788 | 0.63 | — | — | |
| SCHEMBL5393771 | 0.63 | L3MBTL1 (0.34) | — |
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-7250063-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2007-07-31 | — | — | US | disclosed |