SCHEMBL24001038

SCHEMBL24001038

COS(=O)(=O)CC[n+]1ccc(-c2ncc(C(F)(F)F)cn2)cn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL24001166 0.87 KIF11 (0.41) PTGS2ACHEPOLB
SCHEMBL24001057 0.87 APLNR (0.30)
SCHEMBL24001058 0.85
SCHEMBL20753538 0.84 PPARD (0.33) PTGS2ACHE
SCHEMBL24001053 0.84 LMNA (0.33)
SCHEMBL24001132 0.84 NPC1 (0.35)
SCHEMBL20753258 0.84 CLK4 (0.33)
SCHEMBL20753726 0.83
SCHEMBL24001005 0.83 ALDH1A1 (0.41) POLB
SCHEMBL24000938 0.82

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
EP-3668855-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-10 EP disclosed