SCHEMBL3261812

SCHEMBL3261812

CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1.COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.Cc1nn(C)c(O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3260819 0.94
SCHEMBL3261513 0.91
SCHEMBL3265155 0.90
Carfentrazone-Ethyl SCHEMBL3261608 0.90
Florasulam SCHEMBL3263475 0.90
Sethoxydim SCHEMBL3261808 0.89
SCHEMBL3230430 0.87 CDK1 (0.36)
SCHEMBL3262603 0.82
Iodosulfuron SCHEMBL3262629 0.80
SCHEMBL3263510 0.80

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865626-B2 Synergistically active herbicidal agents that are compatible with cultivated plants and contain herbicides from the group of benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2014-10-21 US disclosed
US-20100144523-A1 SYNERGISTICALLY ACTIVE HERBICIDAL AGENTS THAT ARE COMPATIBLE WITH CULTIVATED PLANTS AND CONTAIN HERBICIDES FROM THE GROUP OF BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed