⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166600 | 0.77 | — | — | |
| Oxazole SCHEMBL28727737 | 0.72 | — | — | |
| Oxazole SCHEMBL28752434 | 0.70 | — | — | |
| Oxazole SCHEMBL1743576 | 0.69 | — | — | |
| Oxazole SCHEMBL29728171 | 0.69 | — | — | |
| Oxazole SCHEMBL14 | 0.69 | — | — | |
| Oxazole SCHEMBL28392895 | 0.67 | — | — | |
| Oxazole SCHEMBL983076 | 0.67 | — | — | |
| Oxazole SCHEMBL1128503 | 0.67 | — | — | |
| Oxazole SCHEMBL7538737 | 0.67 | — | — |
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-1925833-A | Keratin dyeing compounds, keratin dyeing compositions containing them, and their use | PROCTER & GAMBLE (US) | 2007-03-07 | — | — | CN | disclosed |