SCHEMBL777722

SCHEMBL777722

O=P(O)(O)CC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
MMP2 P08253 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PGK1 P00558 5/20 0.47
PGK2 P07205 5/20 0.47
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CNR2 P34972 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRC P12931 1/20 0.42

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
SCHEMBL778799 0.79 ACP3 (0.56) CA12MMP2CA9CA14PGK1
SCHEMBL16859930 0.79 ACP3 (0.65) PGK1PGK2SRC
SCHEMBL875769 0.78 SRC (0.60) PGK1PGK2SRC
SCHEMBL8824585 0.78 PGK1 (0.74) CA12MMP2CA9CA14PGK1
SCHEMBL779192 0.77 CA12 (0.46) CA12MMP2PGK1PGK2HDAC4
SCHEMBL21616513 0.76 CA12 (0.45) CA12MMP2CA9CA14PGK1
SCHEMBL5149908 0.74 HDAC4 (0.51) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL20877925 0.72 CYP19A1 (0.50) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL5687863 0.71 HDAC4 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL5514429 0.71 HDAC4 (0.49) HDAC4HDAC7HDAC5CNR2CES2

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 7 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-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 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