⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11205697 | 1.00 | — | — | |
| SCHEMBL4565654 | 0.89 | — | — | |
| SCHEMBL6142418 | 0.89 | — | — | |
| SCHEMBL10259860 | 0.80 | — | — | |
| SCHEMBL15604533 | 0.80 | — | — | |
| SCHEMBL12572461 | 0.80 | HTR2A (0.36) | — | |
| SCHEMBL18901141 | 0.80 | — | — | |
| SCHEMBL22449336 | 0.77 | — | — | |
| SCHEMBL11249689 | 0.76 | — | — | |
| SCHEMBL11249691 | 0.76 | — | — |
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-0018833-B1 | COMPOUNDED PERFUMERY COMPOSITION | BUSH BOAKE ALLEN Limited (GB) | 1983-10-19 | — | — | EP | disclosed |