⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8910245 | 0.74 | — | — | |
| SCHEMBL28868554 | 0.68 | CA2 (0.32) | — | |
| SCHEMBL7034254 | 0.67 | — | — | |
| SCHEMBL8334423 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL7154844 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL12320147 | 0.64 | — | — | |
| SCHEMBL9809200 | 0.64 | — | — | |
| SCHEMBL7441584 | 0.64 | — | — | |
| SCHEMBL14210696 | 0.64 | — | — | |
| SCHEMBL733514 | 0.64 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1855529-B1 | SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2013-12-18 | — | — | EP | claimed |
| US-20110092368-A1 | 2,4,6-Phenyl-substituted cyclic ketoenols | FISCHER REINER | 2011-04-21 | — | — | US | claimed |
| US-20050003963-A1 | Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-01-06 | — | — | US | claimed |
| CN-1407854-A | N-aryi-uracile-based herbicides | BAYER AG (DE) | 2003-04-02 | — | — | CN | claimed |
| US-8748343-B2 | Herbicide/safener combintions | BAYER CROPSCIENCE AG (DE) | 2014-06-10 | — | — | US | disclosed |
| US-20120322657-A1 | HERBICIDE/SAFENER COMBINTIONS | ZIEMER FRANK (DE) | 2012-12-20 | — | — | US | disclosed |
| EP-1855529-A2 | SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS | Bayer CropScience AG (DE) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006089633-A2 | SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2006-08-31 | — | — | WO | disclosed |
| US-20060030485-A1 | Herbicide/safener combinations | AVENTIS CROPSCIENCE GMBH | 2006-02-09 | — | — | US | disclosed |
| US-6649565-B1 | Combining 2-(2-methoxycarbonyl-phenylsulphonylaminocarbonyl)-4-methyl-5-propoxy-2,4 -dihydro-3H-1,2,4-triazol-3-one with crop compatibility improving additives | BAYER AKTIENGESELLSCHAFT (DE) | 2003-11-18 | — | — | US | disclosed |
| CN-1407854-A | N-aryi-uracile-based herbicides | BAYER AG (DE) | 2003-04-02 | — | — | CN | disclosed |