SCHEMBL17469853

SCHEMBL17469853

CC(/C=C/C(C)OS(=O)(=O)O)OS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL17466297 0.85
SCHEMBL10555020 0.81
SCHEMBL9743938 0.79 CA2 (0.50) CA2CA1CA9ALDH1A1TSHR
SCHEMBL777389 0.79
SCHEMBL17456522 0.77 CA2 (0.48) CA2CA1CA9ALDH1A1TSHR
SCHEMBL778698 0.74 CA2 (0.39) CA2CA1CA9ALDH1A1TSHR
SCHEMBL20236024 0.74 ALDH1A1 (0.55) CA2CA1CA9ALDH1A1TSHR
SCHEMBL374821 0.73
SCHEMBL10904910 0.73 CA2 (0.39) CA2CA1CA9ALDH1A1TSHR
SCHEMBL4330677 0.72 CA2 (0.38) CA2CA1CA9ALDH1A1TSHR

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