SCHEMBL776850

SCHEMBL776850

O=P(O)(O)C(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 10/20 0.51
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
CYP3A4 P08684 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.37
SRC P12931 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL777888 0.89 ACP3 (0.64) ACP3PGK1PGK2CYP3A4CES2
SCHEMBL778849 0.85 ACP3 (0.47) ACP3CYP3A4CES2CES1GAA
SCHEMBL7228258 0.82 ACP3 (0.69) ACP3CA12MMP2PGK1PGK2
SCHEMBL777805 0.81 ACP3 (0.57) ACP3CA12MMP2PGK1PGK2
SCHEMBL777581 0.79 ALDH1A1 (0.40) ACP3CA12MMP2CYP3A4GAA
SCHEMBL781362 0.74 CYP19A1 (0.42) ACP3CYP3A4GAAALDH1A1
SCHEMBL777580 0.72 ACP3 (0.53) ACP3CYP3A4
SCHEMBL18526933 0.72 PGK1 (0.50) ACP3CA12MMP2PGK1PGK2
SCHEMBL6566037 0.72 CES2 (0.43) CYP3A4CES2CES1GAAALDH1A1
SCHEMBL30910940 0.72 CES2 (0.43) CYP3A4CES2CES1GAAALDH1A1

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