SCHEMBL777805

SCHEMBL777805

O=P(O)(O)C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 11/20 0.57
PGK1 P00558 4/20 0.50
PGK2 P07205 4/20 0.50
CA12 O43570 1/20 0.50
MMP2 P08253 1/20 0.50
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL7228258 0.92 ACP3 (0.69) ACP3PGK1PGK2CA12MMP2
SCHEMBL776850 0.81 ACP3 (0.51) ACP3PGK1PGK2CA12MMP2
SCHEMBL11082211 0.79 PGK1 (0.59) PGK1PGK2CA12MMP2HDAC3
SCHEMBL10454829 0.78 ACP3 (0.59) ACP3PGK1PGK2CA12MMP2
SCHEMBL11301473 0.77 PGK1 (0.78) ACP3PGK1PGK2CA12MMP2
SCHEMBL16859932 0.76 ACP3 (0.58) ACP3PGK1PGK2CA12MMP2
SCHEMBL16931008 0.76 ACP3 (0.57) ACP3PGK1PGK2SRC
SCHEMBL19638012 0.76 ACP3 (0.58) ACP3PGK1PGK2CA12MMP2
SCHEMBL779192 0.76 CA12 (0.46) ACP3PGK1PGK2CA12MMP2
SCHEMBL232244 0.75 ACP3 (0.79) ACP3PGK1PGK2SRC

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