SCHEMBL778114

SCHEMBL778114

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.41
CYP3A4 P08684 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.37
PTPN1 P18031 1/20 0.36
PGK1 P00558 3/20 0.34
PGK2 P07205 3/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
SRC P12931 1/20 0.33
MME P08473 1/20 0.33
ECE1 P42892 1/20 0.33
PTPN5 P54829 1/20 0.33

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
SCHEMBL778849 0.74 ACP3 (0.47) ACP3CYP3A4CES2CES1GAA
SCHEMBL781643 0.72 CYP3A4 (0.38) ACP3CYP3A4CES2CES1PTPN1
SCHEMBL18526933 0.72 PGK1 (0.50) ACP3CYP3A4CES2CES1PGK1
SCHEMBL779167 0.69 CYP3A4 (0.44) ACP3CYP3A4CES2CES1GAA
SCHEMBL779493 0.69 PPARG (0.36) POLBPTPN1
SCHEMBL777888 0.68 ACP3 (0.64) ACP3CYP3A4CES2CES1PGK1
SCHEMBL1921379 0.67 CYP3A4 (0.39) ACP3CYP3A4CES2CES1POLB
SCHEMBL776251 0.67 CYP3A4 (0.39) ACP3CYP3A4CES2CES1GAA
SCHEMBL21616477 0.67 CYP3A4 (0.42) ACP3CYP3A4CES2CES1GAA
SCHEMBL777991 0.67 ACP3 (0.53) ACP3PTPN1PGK1PGK2SRC

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 6 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