SCHEMBL778138

SCHEMBL778138

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.38
PTPN1 P18031 3/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PGK1 P00558 3/20 0.35
PGK2 P07205 3/20 0.35
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
PTPN5 P54829 1/20 0.33
PTPRC P08575 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ACP3 P15309 1/20 0.32

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
SCHEMBL11435363 0.80 TSHR (0.41) PTPN1ALOX15TSHRPGK1PGK2
SCHEMBL777703 0.79 KCNN4 (0.39) KCNN4PTPN1ALOX15TSHRPGK1
SCHEMBL777442 0.78 PTPN1 (0.38) KCNN4PTPN1ALOX15TSHRPGK1
SCHEMBL778562 0.73 HDAC3 (0.33) KCNN4PTPN1ALOX15TSHRHDAC3
SCHEMBL779296 0.72 TSHR (0.35) KCNN4PTPN1ALOX15TSHRPGK1
SCHEMBL779166 0.72 PTPN1 (0.41) KCNN4PTPN1TSHRPGK1PGK2
SCHEMBL781421 0.71 PTPN1 (0.35) KCNN4PTPN1ALOX15TSHRPGK1
SCHEMBL780813 0.70 PTPN1 (0.44) KCNN4PTPN1PGK1PGK2CDC14B
SCHEMBL3883435 0.70 PTPN1 (0.41) PTPN1ALOX15TSHRPGK1PGK2
SCHEMBL776691 0.69 FDPS (0.37) KCNN4PTPN1PGK1PGK2CDC14B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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