⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12134163 | 0.95 | — | — | |
| SCHEMBL12134162 | 0.87 | HPGD (0.32) | — | |
| SCHEMBL12134169 | 0.86 | — | — | |
| SCHEMBL12134168 | 0.81 | MAOA (0.30) | — | |
| SCHEMBL10079451 | 0.79 | — | — | |
| SCHEMBL12134136 | 0.79 | MAOA (0.32) | — | |
| SCHEMBL12134177 | 0.79 | — | — | |
| SCHEMBL12134180 | 0.78 | — | — | |
| SCHEMBL12134178 | 0.78 | — | — | |
| SCHEMBL12134144 | 0.78 | MAOA (0.31) | — |
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 9 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 |
| 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 |
| US-20110281930-A1 | Use of 2-Aryl-5-heterocyclyl-cyclohexane-1,3-dione Compounds as Insecticides, Acaricides, and/ or Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-11-17 | — | — | US | disclosed |
| US-20110281930-A1 | Use of 2-Aryl-5-heterocyclyl-cyclohexane-1,3-dione Compounds as Insecticides, Acaricides, and/ or Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-11-17 | — | — | 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 |
| WO-2010081687-A1 | USE OF 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-L,3-DIONE COMPOUNDS AS INSECTICIDES, ACARICIDES AND / OR FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-07-22 | — | — | WO | 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 |
| 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 |
| 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 |