⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8404397 | 0.69 | — | — | |
| SCHEMBL1627272 | 0.69 | — | — | |
| SCHEMBL4560171 | 0.67 | TYMP (0.52) | — | |
| SCHEMBL2891526 | 0.67 | TYMP (0.52) | — | |
| SCHEMBL11463790 | 0.67 | — | — | |
| SCHEMBL11736849 | 0.64 | KDM4E (0.46) | — | |
| SCHEMBL1188495 | 0.63 | DAO (0.38) | — | |
| SCHEMBL6850855 | 0.61 | DAO (0.38) | — | |
| SCHEMBL23668271 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL22715212 | 0.58 | ALDH1A1 (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3933886-A | HAIR DYE | HENKEL & CIE GMBH (DT) | 1976-01-20 | — | — | US | disclosed |