SCHEMBL4242173

SCHEMBL4242173

CCCC=C(C)C(=O)OS(=O)(=O)O.[KH]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL512962 0.98 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL512965 0.98 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL16053743 0.96 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL28070969 0.86 EP300 (0.42) CYP2C19
SCHEMBL10490328 0.84 EP300 (0.41)
SCHEMBL17766340 0.84 EP300 (0.44) CYP2C19
SCHEMBL514120 0.82
SCHEMBL514123 0.82
SCHEMBL9452779 0.81
SCHEMBL10816308 0.74

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-2009118415-A1 COATING COMPOSTIION, COATING AND AN OBJECT COATED WITH THE COATING COMPOSITION DSM IP ASSETS B.V. (NL) 2009-10-01 WO disclosed