⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4541408 | 0.82 | HSD17B10 (0.30) | — | |
| SCHEMBL22811276 | 0.74 | — | — | |
| SCHEMBL3445591 | 0.74 | — | — | |
| SCHEMBL18570173 | 0.70 | — | — | |
| SCHEMBL15848886 | 0.70 | — | — | |
| SCHEMBL13161331 | 0.70 | — | — | |
| SCHEMBL18978377 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL15926830 | 0.68 | — | — | |
| SCHEMBL14256348 | 0.68 | — | — | |
| SCHEMBL13564362 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323408-A1 | METHOD OF SHAPING HAIR | Unilever PLC (GB) | 2018-05-23 | — | — | EP | disclosed |