SCHEMBL3260819

SCHEMBL3260819

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.Nc1cc(Cl)nc(C(=O)O)c1Cl

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
SCHEMBL3261812 0.94
Iodosulfuron SCHEMBL3262629 0.87
SCHEMBL3265339 0.86 GABRA2 (0.30)
SCHEMBL3265215 0.86
SCHEMBL3261513 0.86
Carfentrazone-Ethyl SCHEMBL3261608 0.86
SCHEMBL3265155 0.85
Florasulam SCHEMBL3263475 0.85
Sethoxydim SCHEMBL3261808 0.84
SCHEMBL3230430 0.82 CDK1 (0.36)

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