⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15001130 | 0.87 | — | — | |
| SCHEMBL15822060 | 0.87 | — | — | |
| SCHEMBL1652645 | 0.86 | NPC1 (0.31) | — | |
| SCHEMBL2041740 | 0.83 | OPRL1 (0.36) | — | |
| SCHEMBL1655114 | 0.83 | PIK3CA (0.32) | — | |
| SCHEMBL12239376 | 0.83 | BRD4 (0.33) | — | |
| SCHEMBL515350 | 0.83 | CSF1R (0.31) | — | |
| SCHEMBL1653648 | 0.82 | OPRL1 (0.30) | — | |
| SCHEMBL12239372 | 0.81 | PDE10A (0.36) | — | |
| SCHEMBL1652175 | 0.81 | PARP14 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2785181-B1 | 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF | SYNGENTA LTD (GB) | 2016-08-17 | — | — | EP | disclosed |
| US-9107415-B2 | 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof | SYNGENTA PARTICPATIONS AG (CH) | 2015-08-18 | — | — | US | disclosed |
| US-20140323303-A1 | 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF | SYNGENTA PARTICIPATIONS AG (CH) | 2014-10-30 | — | — | US | disclosed |
| EP-2785181-A1 | 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF | Syngenta Limited (GB) | 2014-10-08 | — | — | EP | disclosed |
| WO-2013079708-A1 | 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF | SYNGENTA LIMITED (GB) | 2013-06-06 | — | — | WO | disclosed |