⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31532976 | 0.66 | — | — | |
| SCHEMBL8681647 | 0.63 | — | — | |
| SCHEMBL8580127 | 0.62 | — | — | |
| SCHEMBL16005111 | 0.61 | — | — | |
| SCHEMBL6261934 | 0.60 | — | — | |
| SCHEMBL6980831 | 0.60 | — | — | |
| SCHEMBL16005069 | 0.60 | BCL9 (0.36) | — | |
| SCHEMBL31753975 | 0.57 | — | — | |
| SCHEMBL5497761 | 0.56 | — | — | |
| SCHEMBL2021402 | 0.56 | — | — |
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-101384303-A | Coloring agent for coloring keratin fibers | WELLA AG (US) | 2009-03-11 | — | — | CN | disclosed |