⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27697181 | 0.77 | — | — | |
| SCHEMBL28767788 | 0.60 | — | — | |
| SCHEMBL6285068 | 0.55 | — | — | |
| SCHEMBL19338017 | 0.54 | — | — | |
| SCHEMBL23284678 | 0.53 | — | — | |
| SCHEMBL13555485 | 0.52 | — | — | |
| SCHEMBL15750259 | 0.52 | — | — | |
| SCHEMBL12947544 | 0.52 | — | — | |
| SCHEMBL5249639 | 0.52 | — | — | |
| SCHEMBL7992346 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101010059-A | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE (US) | 2007-08-01 | — | — | CN | disclosed |