⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL403219 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL2976819 | 0.65 | — | — | |
| SCHEMBL19132212 | 0.64 | MAOA (0.31) | — | |
| SCHEMBL13854001 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL255341 | 0.64 | — | — | |
| SCHEMBL2762760 | 0.63 | CYP19A1 (0.31) | — | |
| SCHEMBL2781786 | 0.63 | CYP19A1 (0.31) | — | |
| SCHEMBL31499316 | 0.59 | PDK2 (0.33) | — | |
| SCHEMBL10554477 | 0.59 | PDK2 (0.33) | — | |
| SCHEMBL2762744 | 0.59 | MAPT (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776888-B2 | such as 3-[2-(2-methoxy-ethoxymethyl)-6-trifluoromethyl-pyridine-3-carbonyl]-1,5-dimethyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione, used for controlling undesired plant growth or weeds | SYNGENTA CROP PROTECTION, INC. (US) | 2010-08-17 | — | — | US | disclosed |
| US-7776888-B2 | such as 3-[2-(2-methoxy-ethoxymethyl)-6-trifluoromethyl-pyridine-3-carbonyl]-1,5-dimethyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione, used for controlling undesired plant growth or weeds | SYNGENTA CROP PROTECTION, INC. (US) | 2010-08-17 | — | — | US | disclosed |
| US-7776888-B2 | such as 3-[2-(2-methoxy-ethoxymethyl)-6-trifluoromethyl-pyridine-3-carbonyl]-1,5-dimethyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione, used for controlling undesired plant growth or weeds | SYNGENTA CROP PROTECTION, INC. (US) | 2010-08-17 | — | — | US | disclosed |
| US-20060052247-A1 | Novel herbicides | SYNGENTA CROP PROTECTION, INC. | 2006-03-09 | — | — | US | disclosed |
| EP-1578747-A2 | NOVEL HERBICIDES | Syngenta Participations AG (CH) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004058712-A2 | HERBICIDALLY ACTIVE NICOTINOYL DERIVATES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-07-15 | — | — | WO | disclosed |