SCHEMBL777931

SCHEMBL777931

CC(C)(C)c1cccc(S(=O)(=O)O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
HSD11B1 P28845 3/20 0.40
TTR P02766 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MYC P01106 1/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
ALOX5 P09917 2/20 0.37
RBP4 P02753 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL3188983 0.85 MEN1 (0.43) CA2HSD11B1TTRALDH1A1MEN1
SCHEMBL17207258 0.82 CA2 (0.45) CA2HSD11B1GABRA1GABRB2ALDH1A1
SCHEMBL20362696 0.82 RAB9A (0.33) CA2HSD11B1ALDH1A1TSHRTDP1
SCHEMBL3778712 0.81 CA2 (0.43) CA2ALDH1A1TSHRTDP1CDK2
SCHEMBL7779124 0.80 CA2 (0.46) CA2HSD11B1TTRGABRA1GABRB2
SCHEMBL664385 0.79 TSHR (0.48) CA2HSD11B1TTRGABRA1GABRB2
SCHEMBL26424592 0.79 CA2 (0.42) CA2HSD11B1GABRA1GABRB2ALDH1A1
SCHEMBL5175740 0.78 CA2 (0.45) CA2HSD11B1TTRGABRA1GABRB2
SCHEMBL6858500 0.78 CA2 (0.61) CA2HSD11B1TTRGABRA1GABRB2
SCHEMBL26426122 0.78 ALDH1A1 (0.42) CA2HSD11B1ALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
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-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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