⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3062382 | 0.76 | — | — | |
| SCHEMBL6098818 | 0.68 | — | — | |
| SCHEMBL7067759 | 0.65 | — | — | |
| SCHEMBL2079063 | 0.62 | — | — | |
| SCHEMBL1199564 | 0.61 | — | — | |
| SCHEMBL269889 | 0.60 | — | — | |
| SCHEMBL2150358 | 0.60 | XIAP (0.33) | — | |
| SCHEMBL8296759 | 0.59 | — | — | |
| SCHEMBL19031995 | 0.58 | — | — | |
| SCHEMBL9902167 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002205926-A | HAIR DYE COMPOSITION | KAO CORP | 2002-07-23 | — | — | JP | disclosed |