SCHEMBL7586892

SCHEMBL7586892

CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC(C)C(=O)OC)c1.COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1.O=C(O)COc1ccc(Cl)c2cccnc12

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
Chlorsulfuron SCHEMBL7589944 0.96 PTGER4 (0.32)
Iodosulfuron SCHEMBL7585146 0.95
Prosulfuron SCHEMBL7590055 0.94
Logran SCHEMBL7578195 0.94
SCHEMBL7576238 0.93 KDM4E (0.32)
SCHEMBL7584495 0.93
SCHEMBL7586185 0.92
SCHEMBL7588510 0.91 MAPT (0.30)
Chlorsulfuron SCHEMBL7589165 0.87 KDM4E (0.37)
Flupyrsulfuron SCHEMBL7579124 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 US disclosed