⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7131110 | 1.00 | — | — | |
| SCHEMBL7458499 | 0.88 | — | — | |
| SCHEMBL7042918 | 0.88 | — | — | |
| SCHEMBL7529156 | 0.88 | — | — | |
| SCHEMBL6290847 | 0.87 | — | — | |
| SCHEMBL7460339 | 0.84 | — | — | |
| SCHEMBL7457944 | 0.84 | — | — | |
| SCHEMBL13650227 | 0.79 | — | — | |
| SCHEMBL7127160 | 0.77 | — | — | |
| SCHEMBL7531847 | 0.76 | — | — |
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-20030028977-A1 | Oxidation dyeing composition for keratinous fibres and dyeing method using same | L'OREAL S.A. (FR) | 2003-02-13 | — | — | US | disclosed |