SCHEMBL778849

SCHEMBL778849

O=P(O)(O)C(c1ccccc1F)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 10/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 1/20 0.44
SRC P12931 1/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL777888 0.88 ACP3 (0.64) ACP3CES2CES1CYP3A4SRC
SCHEMBL776850 0.85 ACP3 (0.51) ACP3CES2CES1CYP3A4SRC
SCHEMBL18526933 0.81 PGK1 (0.50) ACP3CES2CES1CYP3A4SRC
SCHEMBL779167 0.78 CYP3A4 (0.44) ACP3CES2CES1CYP3A4SRC
SCHEMBL776251 0.75 CYP3A4 (0.39) ACP3CES2CES1CYP3A4SRC
SCHEMBL21616477 0.75 CYP3A4 (0.42) ACP3CES2CES1CYP3A4GAA
SCHEMBL16859929 0.74 ACP3 (0.79) ACP3SRCGAA
SCHEMBL777640 0.74 SRC (0.46) ACP3CYP3A4SRCGAACNR2
SCHEMBL778114 0.74 ACP3 (0.41) ACP3CES2CES1CYP3A4SRC
SCHEMBL776692 0.72 ALDH1A1 (0.41) CES2CES1CYP3A4CNR2MEN1

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