SCHEMBL778197

SCHEMBL778197

O=P(O)(O)C(c1ccccc1C1CCCCC1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.44
PTPN2 P17706 1/20 0.44
ACP3 P15309 4/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
PTGS2 P35354 1/20 0.36
GAA P10253 2/20 0.33
RBP4 P02753 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 1/20 0.32
CEL P19835 1/20 0.32
CNR1 P21554 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
SCHEMBL9255593 0.71 PTGDR2 (0.44) PTGDR2PTGS2CEL
SCHEMBL777991 0.70 ACP3 (0.53) PTPN5ACP3
SCHEMBL2062407 0.69 PTGDR2 (0.39) PTPN5PTPN2PTGDR2PTGS2GAA
SCHEMBL2062913 0.69 PTGDR2 (0.39) PTPN5PTPN2PTGDR2PTGS2GAA
SCHEMBL778598 0.69 PTPN5 (0.44) PTPN5PTPN2PTGDR2PTGS2GAA
Hydrogen Peroxide SCHEMBL11527811 0.68 PTGDR2 (0.44) PTGDR2PTGS2GAAHTR2C
SCHEMBL9203356 0.68 PTGDR2 (0.41) PTGDR2PTGS2HTR2C
SCHEMBL11366017 0.68 PTGS2 (0.43) PTGDR2PTGS2GAAHTR2C
SCHEMBL19878092 0.68 PTGDR2 (0.44) PTPN5PTPN2ACP3PTGDR2PTGS2
SCHEMBL198081 0.68 PTGDR2 (0.48) PTGDR2PTGS2CNR1

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 6 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
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed