⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1831356 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL560005 | 0.83 | DAO (0.30) | — | |
| SCHEMBL12239207 | 0.78 | NPC1 (0.30) | — | |
| SCHEMBL1833324 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL1038175 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL2991364 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL560479 | 0.73 | — | — | |
| SCHEMBL12239220 | 0.73 | DAO (0.31) | — | |
| SCHEMBL12239256 | 0.72 | TP53 (0.31) | — | |
| SCHEMBL12134136 | 0.72 | MAOA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8536351-B2 | 2-aryl-5-heterocyclyl-cyclohexane-1,3,dione compounds and their use as herbicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-09-17 | — | — | US | disclosed |
| EP-2134699-B1 | 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2011-05-11 | — | — | EP | disclosed |
| US-20100113270-A1 | 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-05-06 | — | — | US | disclosed |
| EP-2134699-A1 | 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES | Syngeta Participations AG (CH) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008110307-A1 | 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-18 | — | — | WO | disclosed |