⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2565102 | 0.82 | — | — | |
| SCHEMBL9579378 | 0.78 | — | — | |
| SCHEMBL10919706 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL8557900 | 0.72 | — | — | |
| SCHEMBL16446492 | 0.69 | — | — | |
| SCHEMBL27668974 | 0.69 | — | — | |
| SCHEMBL12468997 | 0.69 | PTGS1 (0.41) | — | |
| SCHEMBL8554032 | 0.68 | ACHE (0.36) | — | |
| SCHEMBL2067766 | 0.68 | CHRM5 (0.33) | — | |
| SCHEMBL2118033 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963445-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2018-05-08 | — | — | US | disclosed |
| EP-3030081-B1 | PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-08-02 | — | — | EP | disclosed |
| EP-3030081-A1 | PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES | Syngenta Participations AG (CH) | 2016-06-15 | — | — | EP | disclosed |
| US-20160159781-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |
| WO-2015018431-A1 | PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-02-12 | — | — | WO | disclosed |
| EP-2615917-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2013-07-24 | — | — | EP | disclosed |
| US-20130180014-A1 | Pyridine Compounds for Controlling Invertebrate Pests III | BASF SE (DE) | 2013-07-11 | — | — | US | disclosed |
| WO-2012034959-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2012-03-22 | — | — | WO | disclosed |