⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8645913 | 0.56 | — | — | |
| SCHEMBL8618825 | 0.56 | — | — | |
| SCHEMBL4067471 | 0.54 | — | — | |
| SCHEMBL532922 | 0.53 | — | — | |
| SCHEMBL18952898 | 0.53 | — | — | |
| SCHEMBL11440180 | 0.43 | — | — | |
| SCHEMBL14380318 | 0.43 | — | — | |
| SCHEMBL352077 | 0.43 | HSP90AA1 (0.39) | — | |
| SCHEMBL29385656 | 0.43 | HSP90AA1 (0.39) | — | |
| SCHEMBL14380284 | 0.43 | ALDH1A1 (0.36) | — |
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-0127847-A1 | 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives | HOECHST UK LIMITED (GB) | 1984-12-12 | — | — | EP | disclosed |