SCHEMBL778769

SCHEMBL778769

O=S(=O)(O)CCc1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
APP P05067 1/20 0.33
RIPK1 Q13546 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ERN1 O75460 1/20 0.31
GPR17 Q13304 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL776969 0.78 CES2 (0.35) TAAR1CNR1RIPK1CES2CES1
SCHEMBL778663 0.77 DAO (0.38) LMNASLC6A6CYP2C19BLMCES2
SCHEMBL776934 0.75 HTR2A (0.49)
SCHEMBL18242011 0.70 TAAR1 (0.39) TAAR1CNR1RIPK1CES2CES1
SCHEMBL17552659 0.70 TAAR1 (0.39) TAAR1CNR1RIPK1CES2CES1
SCHEMBL17888697 0.68 PTGES (0.35) LMNAPTGS1
SCHEMBL4715895 0.68 FFAR1 (0.59) TAAR1CNR1CES2CES1GPR17
SCHEMBL778326 0.68 TAAR1 (0.46) TAAR1PTGS1FFAR1
SCHEMBL31641818 0.68 TAAR1 (0.43) TAAR1CNR1RIPK1CES2CES1
SCHEMBL15819455 0.67 TAAR1 (0.65) TAAR1CNR1BLM

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