SCHEMBL776503

SCHEMBL776503

Cc1ccccc1P(=O)(O)CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 6/20 0.38
PGK2 P07205 6/20 0.38
PTPN1 P18031 2/20 0.37
CFTR P13569 1/20 0.34
FDPS P14324 1/20 0.34
PTPN5 P54829 3/20 0.34
ACP3 P15309 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL777332 0.85 PGK1 (0.33) PGK1PGK2PTPN1PTPN5ACP3
SCHEMBL777944 0.81 PTPN5 (0.40) PGK1PGK2PTPN1CFTRFDPS
SCHEMBL4132144 0.80 PTPN1 (0.38) PGK1PGK2PTPN1CFTRFDPS
SCHEMBL779751 0.77 FDPS (0.37) PGK1PGK2PTPN1CFTRFDPS
SCHEMBL4119138 0.77 HTT (0.39) PGK1PGK2KDM4EALDH1A1GAA
SCHEMBL969341 0.77 CFTR (0.39) CFTRFDPSACP3CYP1A2CYP3A4
SCHEMBL781242 0.75 MAPT (0.36) PGK1PGK2PTPN1CFTRFDPS
SCHEMBL778380 0.74 LIPG (0.37) PTPN1PTPN5CYP3A4CYP2C9
SCHEMBL779987 0.73 GABRA1 (0.40) PGK1PGK2PTPN1PTPN5ACP3
SCHEMBL2700240 0.73 CFTR (0.59) PGK1PGK2PTPN1CFTRPTPN5

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-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