⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15086739 | 0.90 | — | — | |
| SCHEMBL12371040 | 0.86 | — | — | |
| SCHEMBL12371011 | 0.86 | NOTUM (0.34) | — | |
| SCHEMBL17147778 | 0.84 | — | — | |
| SCHEMBL16978432 | 0.84 | CYP3A4 (0.31) | — | |
| SCHEMBL17070234 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL17147788 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL16978420 | 0.81 | CYP3A4 (0.36) | — | |
| SCHEMBL16546479 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL16186367 | 0.81 | CYP3A4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7999123-B2 | 2-oxetanone derivative and process for production thereof | JNC CORPORATION (JP) | 2011-08-16 | — | — | US | disclosed |
| US-7999123-B2 | 2-oxetanone derivative and process for production thereof | JNC CORPORATION (JP) | 2011-08-16 | — | — | US | disclosed |
| US-20090275756-A1 | 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF | CHISSO CORPORATION (JP) | 2009-11-05 | — | — | US | disclosed |
| US-20090275756-A1 | 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF | CHISSO CORPORATION (JP) | 2009-11-05 | — | — | US | disclosed |