SCHEMBL17469735

SCHEMBL17469735

O=S(=O)(O)OCC(F)(F)C(F)(F)COS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL17456378 0.97 CA2 (0.37) CA2CA1CA9TSHRTDP1
SCHEMBL18632022 0.90 CA2 (0.36) CA2CA1CA9TSHRTDP1
SCHEMBL17469880 0.90 CA2 (0.36) CA2CA1CA9TSHRTDP1
SCHEMBL17469885 0.90 CA2 (0.36) CA2CA1CA9TSHRTDP1
SCHEMBL17456448 0.87 CA1 (0.34) CA2CA1CA9TSHRTDP1
SCHEMBL5488393 0.85 CA2 (0.35) CA2CA1CA9TSHRTDP1
SCHEMBL17466298 0.85 CA1 (0.30) CA2CA1CA9
Ammonia Solution, Strong SCHEMBL5489255 0.84 CA2 (0.34) CA2CA1CA9
SCHEMBL2293100 0.83 CA2 (0.56) CA2CA1CA9TSHRTDP1
SCHEMBL17469882 0.83 CA2 (0.39) CA2CA1CA9TSHRTDP1

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