SCHEMBL776431

SCHEMBL776431

CP(=O)(O)CCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
GRM4 Q14833 1/20 0.37
CA2 P00918 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
FDPS P14324 2/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 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
SCHEMBL2986845 0.80 GRM4 (0.50) LMNABLMGRM4LPAR3PGK1
SCHEMBL28430083 0.80 PGK1 (0.33) GABBR2GABBR1GRM4LPAR1LPAR3
SCHEMBL28495919 0.78 LPAR1 (0.32) GABBR2GABBR1GRM4LPAR1LPAR3
SCHEMBL28504788 0.78 GRM4 (0.48) LMNABLMGRM4LPAR1LPAR3
SCHEMBL781350 0.77 GABBR2 (0.46) GABBR2GABBR1GRM4LPAR1LPAR3
SCHEMBL602847 0.75 GABBR2 (0.58) GABBR2CYP1A2TSHRTHPOGABBR1
SCHEMBL25670650 0.74 GABBR2 (0.46) GABBR2CYP1A2TSHRTHPOGABBR1
SCHEMBL777313 0.74 LPAR1 (0.30) GRM4LPAR1LPAR3
SCHEMBL778729 0.72 GABBR2 (0.55) GABBR2GABBR1LPAR1LPAR3FDPS
SCHEMBL777156 0.70

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 8 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-9093716-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-28 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