SCHEMBL779237

SCHEMBL779237

O=P(O)(CC(F)(F)F)c1cccc(C2CCCCC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 5/20 0.42
PTPN2 P17706 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.35
LMNA P02545 1/20 0.33
OPRL1 P41146 1/20 0.32
KMO O15229 1/20 0.32
PTGS2 P35354 1/20 0.32
FEN1 P39748 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX2 P34913 1/20 0.31
PTGDR Q13258 1/20 0.30
NOTUM Q6P988 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL778598 0.88 PTPN5 (0.44) PTPN5PTPN2PTGDR2LMNAPTGS2
SCHEMBL29468595 0.79 PTGDR2 (0.40) PTPN5PTPN2PTGDR2LMNAPTGS2
SCHEMBL779179 0.74 PTPN5 (0.37) PTPN5PTPN2PTGDR2OPRL1PTGS2
SCHEMBL777332 0.73 PGK1 (0.33) PTPN5
SCHEMBL779900 0.72 PTPN5 (0.33) PTPN5
SCHEMBL779987 0.72 GABRA1 (0.40) PTPN5
SCHEMBL29468619 0.71 PTGDR2 (0.49) PTPN5PTPN2PTGDR2PTGDR
SCHEMBL4132144 0.69 PTPN1 (0.38) PTPN5PTPN2
SCHEMBL19878092 0.69 PTGDR2 (0.44) PTPN5PTPN2PTGDR2PTGS2
SCHEMBL777539 0.68 PTPN5 (0.41) PTPN5PTPN2PTGDR2OPRL1PTGS2

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