SCHEMBL778597

SCHEMBL778597

O=[PH](O)c1cccc(C2CCCCC2)c1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.36
PTPN2 P17706 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
PTGS2 P35354 1/20 0.33
CEL P19835 1/20 0.31
OPRL1 P41146 1/20 0.31
KMO O15229 1/20 0.31
RBP4 P02753 1/20 0.30
CETP P11597 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
SCHEMBL10844097 0.75 PTGDR2 (0.45) PTPN5PTPN2PTGDR2PTGS2CEL
SCHEMBL780832 0.75 PTGDR2 (0.45) PTPN5PTPN2PTGDR2PTGS2CEL
SCHEMBL779753 0.74 GABRA1 (0.31)
SCHEMBL27628136 0.74 PTGDR2 (0.39) PTPN5PTPN2PTGDR2PTGS2CEL
SCHEMBL776502 0.73 TRPA1 (0.31)
SCHEMBL777943 0.72 GABRA1 (0.41) PTPN5
SCHEMBL4139631 0.70 PTGDR2 (0.40) PTPN5PTPN2PTGDR2PTGS2RBP4
SCHEMBL777538 0.69 PTPN5 (0.40) PTPN5PTPN2PTGDR2PTGS2OPRL1
SCHEMBL2700242 0.65 HCRTR1 (0.30)
SCHEMBL27807396 0.65 NUDT1 (0.39) PTPN5PTPN2PTGDR2PTGS2CEL

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