⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14441000 | 1.00 | — | — | |
| SCHEMBL8407632 | 1.00 | — | — | |
| SCHEMBL10631499 | 0.83 | PPARG (0.30) | — | |
| SCHEMBL10631389 | 0.82 | PTGS1 (0.34) | — | |
| SCHEMBL21224705 | 0.80 | — | — | |
| SCHEMBL4055706 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL10627292 | 0.79 | SORT1 (0.35) | — | |
| SCHEMBL10626114 | 0.77 | — | — | |
| SCHEMBL14441015 | 0.76 | — | — | |
| SCHEMBL13251666 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8546114-B2 | Processes for the preparation of optically active cyclopentenones and cyclopentenones prepared therefrom | CHIROGATE INTERNATIONAL INC. (TW) | 2013-10-01 | — | — | US | disclosed |
| US-20070166809-A1 | Processes for the preparations of optically active cyclopentenones and cyclopentenones prepared therefrom | CHIROGATE INTERNATIONAL INC. | 2007-07-19 | — | — | US | disclosed |
| US-5925676-A | INSECICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-07-20 | — | — | US | disclosed |
| EP-0829467-A1 | Novel ester compounds, pesticidal compositions containing the same and intermediates for synthesis thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-03-18 | — | — | EP | disclosed |