SCHEMBL777381

SCHEMBL777381

CCCCP(=O)(O)C=CCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.39
LPAR3 Q9UBY5 5/20 0.38
LPAR1 Q92633 1/20 0.38
GABBR2 O75899 1/20 0.36
GABRR1 P24046 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35
SMPD1 P17405 3/20 0.33
FDPS P14324 5/20 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
SCHEMBL779914 0.81 GGPS1 (0.32) GGPS1LPAR3LPAR1GABRR1
SCHEMBL31590473 0.79 GABBR2 (0.42) GGPS1LPAR3LPAR1GABBR2GABRR1
SCHEMBL31590834 0.77 GABBR2 (0.41) GGPS1LPAR3LPAR1GABBR2GABRR1
SCHEMBL31590760 0.77 LPAR3 (0.46) GGPS1LPAR3LPAR1GABBR2GABRR1
SCHEMBL777859 0.75
SCHEMBL31590346 0.74 LPAR3 (0.49) GGPS1LPAR3LPAR1LPAR2
SCHEMBL31590615 0.73 LPAR3 (0.50) GGPS1LPAR3LPAR2FDPS
SCHEMBL2406288 0.72 GABBR2 (0.43) LPAR3GABBR2GABRR1GABBR1LPAR2
SCHEMBL2406287 0.72 GABBR2 (0.43) LPAR3GABBR2GABRR1GABBR1LPAR2
SCHEMBL778543 0.72 GABRR1 (0.52) GABRR1

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-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-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed