SCHEMBL779660

SCHEMBL779660

O=P(O)(O)c1cccc(CC(F)(F)F)c1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.37
PGK2 P07205 4/20 0.37
PTPN5 P54829 1/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
PTK2B Q14289 2/20 0.34
FDPS P14324 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
ACP3 P15309 2/20 0.33
ALPG P10696 1/20 0.33
PTPN1 P18031 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL778333 0.81 PGK1 (0.36) PGK1PGK2PTPN5NPC1POLB
SCHEMBL779203 0.78
SCHEMBL776500 0.74 PTPN5 (0.38) PGK1PGK2PTPN5FDPSACP3
SCHEMBL3884619 0.72 CYP1A2 (0.36) PGK1PGK2FDPS
SCHEMBL779751 0.72 FDPS (0.37) PGK1PGK2PTPN5FDPSACP3
SCHEMBL779900 0.72 PTPN5 (0.33) PGK1PGK2PTPN5FDPSACP3
SCHEMBL777166 0.71 FDPS (0.43) PGK1PGK2PTPN5POLBFDPS
SCHEMBL777941 0.71 PTPN5 (0.40) PGK1PGK2PTPN5FDPSALDH1A1
SCHEMBL1537947 0.71 GABRA1 (0.45) PTPN5NPC1POLBPTK2BALDH1A1
SCHEMBL779553 0.70 PGK1 (0.36) PGK1PGK2PTPN5FDPSACP3

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