SCHEMBL7577402

SCHEMBL7577402

C#CCN1C(=O)COc2cc(F)c(/N=c3\snc4n3CC(C)(C)C4)cc21.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 SCHEMBL7580573 0.97
Iodosulfuron SCHEMBL7588122 0.95
Logran SCHEMBL7578337 0.94
SCHEMBL7584795 0.94
Prosulfuron SCHEMBL7584190 0.93
SCHEMBL7589874 0.93
SCHEMBL7583188 0.92 KDM4E (0.31)
SCHEMBL7585844 0.90
Chlorsulfuron SCHEMBL7585972 0.87 KDM4E (0.33)
Flupyrsulfuron SCHEMBL7578735 0.86

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