SCHEMBL777013

SCHEMBL777013

CC(C)(C)Cc1ccc(S(=O)(=O)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
NT5E P21589 1/20 0.37
HSD17B10 Q99714 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 3/20 0.36
KCNH2 Q12809 2/20 0.36
CASR P41180 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
PARP1 P09874 1/20 0.33
SNCA P37840 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR119 Q8TDV5 2/20 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
SCHEMBL20371183 0.85 PTGS2 (0.43) CA2EPHX2NR1H4KCNH2GPR119
SCHEMBL9969429 0.83 CA2 (0.56) CA2EPHX2NR1H4
SCHEMBL12315351 0.81 LMNA (0.46) CA2EPHX2NR1H4ALDH1A1HSD17B10
SCHEMBL818756 0.79 ALDH1A1 (0.39) CA2ALDH1A1TSHRNT5EHSD17B10
SCHEMBL658698 0.78 ALDH1A1 (0.38) CA2ALDH1A1TSHRNT5EHSD17B10
SCHEMBL28211545 0.78 CA2 (0.50) CA2EPHX2NR1H4ALDH1A1HSD17B10
SCHEMBL20222988 0.74 CASR (0.44) CA2ALDH1A1TSHRHSD17B10CASR
SCHEMBL12406426 0.74 KIF11 (0.42) CA2EPHX2NR1H4ALDH1A1TSHR
SCHEMBL2243909 0.73 CA2 (0.52) CA2ALDH1A1TSHRTDP1LMNA
SCHEMBL2252169 0.73 CA2 (0.52) CA2ALDH1A1TSHRTDP1LMNA

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