SCHEMBL18090907

SCHEMBL18090907

BC(C)S(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL1148997 0.87 CA1 (0.39) CA1CA2CA7CA13
SCHEMBL11897833 0.78 CA1 (0.37) CA1CA2CA7CA13
SCHEMBL29683097 0.78 CA1 (0.37) CA1CA2CA7CA13
SCHEMBL14649736 0.77 CA1 (0.32) CA1CA2CA7CA13
SCHEMBL22248493 0.75 CA1 (0.35) CA1CA2CA7CA13
SCHEMBL13822758 0.75 CA1 (0.30) CA1CA2CA7CA13
SCHEMBL18180303 0.73 CA1 (0.33) CA1CA2CA7CA13
SCHEMBL18681875 0.73 CA1 (0.33) CA1CA2CA7CA13
SCHEMBL22652341 0.73 CA1 (0.33) CA1CA2CA7CA13
SCHEMBL15976543 0.73 CA1 (0.33) CA1CA2CA7CA13

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-20160272984-A1 TOBACCO ENZYMES FOR REGULATING CONTENT OF PLANT METABOLITES, AND USE THEREOF JAPAN TOBACCO INC. (JP) 2016-09-22 US disclosed