SCHEMBL777579

SCHEMBL777579

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.50
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
PGK1 P00558 2/20 0.40
PGK2 P07205 2/20 0.40
PTPN1 P18031 3/20 0.38
PTPN5 P54829 2/20 0.38
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TBXA2R P21731 1/20 0.37
CCKBR P32239 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PTPRC P08575 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL777638 0.90 PTPN1 (0.48) KCNN4KCNE1KCNQ1PGK1PGK2
SCHEMBL779166 0.86 PTPN1 (0.41) KCNN4KCNE1KCNQ1PGK1PGK2
SCHEMBL779191 0.82 PGK1 (0.46) KCNN4PGK1PGK2PTPN1PTPN5
SCHEMBL1508229 0.80 KCNN4 (0.53) KCNN4KCNE1KCNQ1PGK1PGK2
SCHEMBL781360 0.75 KCNN4 (0.44) KCNN4KCNE1KCNQ1PGK1PGK2
SCHEMBL10933339 0.74 KCNN4 (0.53) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL7940715 0.73 KCNN4 (0.51) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL6622435 0.73 KCNN4 (0.46) KCNN4KCNE1KCNQ1PGK1PGK2
SCHEMBL17923871 0.71 PGK1 (0.46) KCNN4PGK1PGK2PTPN1PTPN5
SCHEMBL14810425 0.71 PTPN5 (0.46) PTPN1PTPN5

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