⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13392173 | 0.83 | — | — | |
| SCHEMBL20003584 | 0.83 | — | — | |
| SCHEMBL13552294 | 0.83 | — | — | |
| SCHEMBL19981986 | 0.79 | — | — | |
| SCHEMBL13515524 | 0.79 | — | — | |
| SCHEMBL19860706 | 0.79 | — | — | |
| SCHEMBL10056284 | 0.79 | — | — | |
| SCHEMBL12831251 | 0.74 | — | — | |
| SCHEMBL12812221 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL25088763 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0681829-B2 | Oxidative dyeing composition for keratinous fibres | OREAL (FR) | 2011-08-03 | — | — | EP | disclosed |