SCHEMBL778599

SCHEMBL778599

O=S(=O)(Oc1ccccc1)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 5/20 0.45
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MEN1 O00255 1/20 0.37
KIF11 P52732 1/20 0.36
CA5A P35218 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
STS P08842 1/20 0.33
SOS1 Q07889 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL778159 0.85 CA1 (0.45) CA1CA2CA9KMT2ALMNA
SCHEMBL778982 0.84 CA2 (0.48) CA1CA2CA9KMT2ALMNA
SCHEMBL778528 0.81 CA1 (0.42) CA1CA2CA9KMT2ALMNA
SCHEMBL776987 0.80 CA1 (0.41) CA1CA2CA9KMT2ALMNA
SCHEMBL27797910 0.79 CA1 (0.40) CA1CA2CA9KMT2ALMNA
SCHEMBL284452 0.76 CA2 (0.64) CA1CA2CA9KMT2ALMNA
SCHEMBL778309 0.76 CA1 (0.48) CA1CA2CA9KMT2ALMNA
SCHEMBL8821206 0.74 CA1 (0.56) CA1CA2CA9KMT2ALMNA
SCHEMBL780030 0.74 CA1 (0.56) CA1CA2CA9KMT2ALMNA
Fluoride SCHEMBL778600 0.74 CA1 (0.47) CA1CA2CA9KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed