SCHEMBL778799

SCHEMBL778799

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 9/20 0.56
PGK1 P00558 5/20 0.52
PGK2 P07205 5/20 0.52
CA12 O43570 1/20 0.51
MMP2 P08253 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL8824585 0.82 PGK1 (0.74) PGK1PGK2CA12MMP2CA9
SCHEMBL777722 0.79 CA12 (0.47) PGK1PGK2CA12MMP2CA9
SCHEMBL21616513 0.77 CA12 (0.45) ACP3PGK1PGK2CA12MMP2
SCHEMBL3884843 0.76 ACP3 (0.89) ACP3PGK1PGK2
SCHEMBL7228258 0.76 ACP3 (0.69) ACP3PGK1PGK2CA12MMP2
SCHEMBL8938038 0.76 ACP3 (0.90) ACP3PGK1PGK2CA12MMP2
SCHEMBL777805 0.74 ACP3 (0.57) ACP3PGK1PGK2CA12MMP2
SCHEMBL232244 0.73 ACP3 (0.79) ACP3PGK1PGK2
SCHEMBL6202122 0.72 CES2 (0.56) HDAC4HDAC7HDAC5CES2CES1
Hydrochloric Acid SCHEMBL1133241 0.72 ACP3 (0.76) ACP3

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