⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL22467852 | 0.97 | — | — | |
| SCHEMBL16169862 | 0.64 | — | — | |
| SCHEMBL836525 | 0.64 | — | — | |
| SCHEMBL20000863 | 0.61 | — | — | |
| SCHEMBL21648667 | 0.61 | — | — | |
| SCHEMBL23533887 | 0.61 | — | — | |
| SCHEMBL12302091 | 0.61 | — | — | |
| SCHEMBL17486719 | 0.60 | — | — | |
| SCHEMBL21044888 | 0.52 | — | — | |
| SCHEMBL24162280 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019041462-A1 | METHOD FOR PREPARING 1,1'-ETHYLENE-2,2'-BIPYRIDYL DICHLORIDE SALT | 南京红太阳生物化学有限责任公司 | 2019-03-07 | — | — | WO | disclosed |
| CN-105580821-B | A kind of herbicidal composition containing fluorine chloropyridine ester and diquat dibromide | 山东省农业科学院植物保护研究所 | 2018-08-28 | — | — | CN | disclosed |
| CN-107573342-A | A kind of preparation method of the villaumite of 1,1 ' ethylene, 2,2 ' bipyridyl two | 南京红太阳生物化学有限责任公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-105580821-A | Herbicide composition containing halauxifen-methyl and diquat | INST PLANT PROT SHANDONG ACADEMY AGRICULTURAL SCIENCES | 2016-05-18 | — | — | CN | disclosed |