⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15001231 | 0.88 | — | — | |
| SCHEMBL12239446 | 0.86 | NPC1 (0.32) | — | |
| SCHEMBL10187588 | 0.86 | DAO (0.31) | — | |
| SCHEMBL15001100 | 0.84 | EZH2 (0.33) | — | |
| SCHEMBL19070718 | 0.76 | RIPK2 (0.36) | — | |
| SCHEMBL10187649 | 0.76 | TTK (0.36) | — | |
| SCHEMBL15839519 | 0.75 | — | — | |
| SCHEMBL15822247 | 0.74 | — | — | |
| SCHEMBL16976196 | 0.74 | DAO (0.32) | — | |
| SCHEMBL14993176 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |
| US-20140323303-A1 | 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF | SYNGENTA PARTICIPATIONS AG (CH) | 2014-10-30 | — | — | US | disclosed |
| WO-2013079708-A1 | 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF | SYNGENTA LIMITED (GB) | 2013-06-06 | — | — | WO | disclosed |