SCHEMBL17469879

SCHEMBL17469879

O=S(=O)(O)OCC/C=C/CCOS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17469884 0.91 CA2 (0.31) CA2CA9FNTAFNTB
SCHEMBL28393641 0.85 FNTA (0.34) CA2CA9FNTAFNTB
SCHEMBL21201763 0.85 FNTA (0.34) CA2CA9FNTAFNTB
SCHEMBL17911705 0.85 LPAR3 (0.44) CA2
SCHEMBL17911702 0.85 LPAR3 (0.44) CA2
SCHEMBL17911701 0.85 LPAR3 (0.44) CA2
SCHEMBL17466296 0.85
SCHEMBL17466293 0.82
SCHEMBL7036524 0.81
SCHEMBL5969210 0.79

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-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed