SCHEMBL777739

SCHEMBL777739

O=P(O)(O)c1ccc(C2CCCCC2)c(C2CCCCC2)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.36
PTPN2 P17706 1/20 0.36
ABCB1 P08183 1/20 0.35
FEN1 P39748 4/20 0.35
CEL P19835 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
ALOX5AP P20292 3/20 0.31
PTGDR Q13258 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMO O15229 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
SCHEMBL19878092 0.71 PTGDR2 (0.44) PTPN5PTPN2CELHSP90AA1PTGDR2
SCHEMBL27952428 0.69 CEL (0.44) ABCB1FEN1CELPTGDR2ALOX5AP
SCHEMBL28526374 0.69 ABCB1 (0.37) ABCB1FEN1CELPTGDR2ALOX5AP
SCHEMBL27679150 0.68 PTPN5 (0.44) PTPN5PTPN2PTGDR2KMO
SCHEMBL239469 0.67 ABCB1 (0.43) ABCB1CELPTGDR2KMO
SCHEMBL778616 0.67 ACP3 (0.39) FEN1CEL
SCHEMBL779237 0.66 PTPN5 (0.42) PTPN5PTPN2FEN1PTGDR2PTGDR
SCHEMBL14353365 0.66 ABCB1 (0.42) ABCB1CELPTGDR2KMO
SCHEMBL1160572 0.65 NUDT1 (0.45) ABCB1FEN1CELHSP90AA1
SCHEMBL777873 0.65 CEL (0.41) ABCB1CELPTGDR2

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