⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902191 | 0.97 | — | — | |
| SCHEMBL6897227 | 0.90 | — | — | |
| SCHEMBL8461400 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL27976941 | 0.73 | OPRM1 (0.58) | — | |
| SCHEMBL13858888 | 0.73 | OPRM1 (0.58) | — | |
| SCHEMBL27784606 | 0.73 | OPRM1 (0.58) | — | |
| SCHEMBL23993 | 0.73 | — | — | |
| SCHEMBL4904464 | 0.73 | ACE2 (0.58) | — | |
| Hexane SCHEMBL1303513 | 0.73 | OPRM1 (0.58) | — | |
| Hexane SCHEMBL27748725 | 0.71 | TSHR (0.64) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6833481-B2 | Catalytic dehydrative isomerization | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-12-21 | — | — | US | disclosed |
| US-20030109755-A1 | Process for producing 2-alkyl-2cyclopentenones | TAKASAGO INTERNATIONAL CORPORATION | 2003-06-12 | — | — | US | disclosed |
| EP-1316541-A1 | Process for producing 2-alkyl-2-cyclopentenones | Takasago International Corporation (JP) | 2003-06-04 | — | — | EP | disclosed |
| EP-0226304-B1 | COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC | SANKYO COMPANY LIMITED (JP) | 1991-08-28 | — | — | EP | disclosed |
| US-4757066-A | Reduces renal toxicity | SANKYO COMPANY LIMITED (JP) | 1988-07-12 | — | — | US | disclosed |
| EP-0226304-A1 | Composition containing a penem or carbapenem antibiotic | SANKYO COMPANY LIMITED (JP) | 1987-06-24 | — | — | EP | disclosed |