⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31458745 | 0.73 | — | — | |
| SCHEMBL31458708 | 0.73 | — | — | |
| SCHEMBL31750029 | 0.73 | — | — | |
| SCHEMBL8767957 | 0.69 | — | — | |
| SCHEMBL5700735 | 0.65 | — | — | |
| SCHEMBL26814945 | 0.65 | — | — | |
| SCHEMBL8084168 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL11612542 | 0.62 | — | — | |
| SCHEMBL5574924 | 0.62 | — | — | |
| SCHEMBL31458663 | 0.62 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0638537-B1 | Process for producing cyclobutanones | SUMITOMO CHEMICAL CO (JP) | 1997-08-13 | — | — | EP | disclosed |
| US-5420356-A | Process for producing cyclobutanones | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0638537-A1 | Process for producing cyclobutanones | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-02-15 | — | — | EP | disclosed |