SCHEMBL17456392

SCHEMBL17456392

O=S(=O)(O)Oc1c(F)c(F)c(F)c(F)c1F.[MgH2]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
CA1 P00915 4/20 0.54
CA9 Q16790 1/20 0.54
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 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
SCHEMBL4333483 0.97 CA2 (0.56) CA2CA1CA9TSHRTDP1
SCHEMBL3475387 0.95 CA2 (0.54) CA2CA1CA9TSHRTDP1
SCHEMBL3705560 0.85 CA2 (0.44) CA2CA1CA9TSHRTDP1
SCHEMBL15827316 0.83 CA2 (0.43) CA2CA1CA9TSHRTDP1
SCHEMBL31173629 0.80 CA2 (0.40) CA2CA1CA9TSHR
SCHEMBL17456621 0.80 CA1 (0.45) CA2CA1CA9
SCHEMBL18389187 0.78 CA1 (0.39) CA2CA1CA9
SCHEMBL778173 0.75 CA1 (0.62) CA2CA1CA9MMP1MMP2
SCHEMBL16282576 0.74 CA1 (0.35) CA2CA1CA9
SCHEMBL16140150 0.72 CA1 (0.59) CA2CA1CA9CA12CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9934911-B2 Nonaqueous electrolyte solution and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2018-04-03 US disclosed
US-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed