SCHEMBL775897

SCHEMBL775897

CC(c1cccc(F)c1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MTOR P42345 1/20 0.41
ACP1 P24666 1/20 0.40
HSD11B1 P28845 1/20 0.39
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3894273 0.85 HDAC4 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL13310031 0.81 ALDH1A1 (0.48) HDAC4PTPN1KDM4E
SCHEMBL778662 0.80 CES2 (0.39) CES2CES1
SCHEMBL3891034 0.79 ACP3 (0.46) KDM4E
SCHEMBL9477874 0.79 ADRB1 (0.50) HDAC4KDM4E
SCHEMBL1607253 0.78 ALDH1A1 (0.48) KDM4E
SCHEMBL8860031 0.78 ALDH1A1 (0.48) KDM4E
SCHEMBL3883489 0.77 HDAC4 (0.42) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL778325 0.76 HTT (0.40) HDAC4HDAC7HDAC5CES2CES1
Fluoromethane SCHEMBL27938457 0.76 SRC (0.50) PTPN1KDM4E

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