⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6903173 | 0.88 | NFKB1 (0.37) | — | |
| SCHEMBL6900417 | 0.86 | DNTT (0.36) | — | |
| SCHEMBL6902526 | 0.84 | DNTT (0.39) | — | |
| SCHEMBL6903979 | 0.84 | DNTT (0.39) | — | |
| SCHEMBL6897244 | 0.84 | DNTT (0.39) | — | |
| SCHEMBL6901633 | 0.84 | DNTT (0.39) | — | |
| SCHEMBL13170733 | 0.82 | — | — | |
| SCHEMBL6902657 | 0.82 | — | — | |
| SCHEMBL3491651 | 0.79 | NPC1 (0.39) | — | |
| SCHEMBL10938582 | 0.78 | HTT (0.33) | — |
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-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 |
| US-4540825-A | REARRANGEMENT OF 4-CYCLOPENTENONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-09-10 | — | — | US | disclosed |