SCHEMBL8705012

SCHEMBL8705012

[CH2]CCCCCS(=O)(=O)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CES1 P23141 4/20 0.32
GRIA1 P42261 3/20 0.31

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
SCHEMBL8698757 0.98 CA2 (0.30) CA2
SCHEMBL6589878 0.91
SCHEMBL4256687 0.83
SCHEMBL6589216 0.81
SCHEMBL5384226 0.80 CA2 (0.54) CA2CES1
SCHEMBL3034954 0.77 CA2 (0.43) CA2CES1
SCHEMBL4255402 0.75 CA2 (0.33) CA2
SCHEMBL14814608 0.75 GRIA1 (0.30) GRIA1
SCHEMBL2303290 0.75 CA2 (0.41) CA2CES1
SCHEMBL3373287 0.74 CA2 (0.39) CA2CES1

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
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed