SCHEMBL779225

SCHEMBL779225

CCCCCC(C(F)(F)F)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.55
LAP3 P28838 2/20 0.52
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
LPAR3 Q9UBY5 2/20 0.46
LPAR1 Q92633 1/20 0.46
SMPD1 P17405 3/20 0.44
LPAR2 Q9HBW0 1/20 0.43

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
SCHEMBL779004 0.85 FDPS (0.50) FDPSLAP3LPAR3LPAR1
SCHEMBL13003078 0.82 FDPS (0.57) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9493160 0.77 FDPS (0.58) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL22588849 0.76 LAP3 (0.42) FDPSLAP3LPAR3LPAR1
SCHEMBL29149610 0.76 FDPS (0.53) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL10948525 0.74 FDPS (0.52) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL15666484 0.74 FDPS (0.50) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL11428078 0.74 FDPS (0.48) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL370480 0.72 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL5778166 0.72 FDPS (0.67) FDPSLAP3S1PR2S1PR1S1PR3

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