SCHEMBL777447

SCHEMBL777447

O=P(O)(O)C(c1ccc(F)cc1)(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.50
PGK2 P07205 3/20 0.50
PTPN1 P18031 8/20 0.42
PTPN5 P54829 2/20 0.41
KCNN4 O15554 1/20 0.41
HSD11B1 P28845 1/20 0.40
PTPN2 P17706 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 2/20 0.39
PTPRC P08575 1/20 0.38
PTPRB P23467 1/20 0.38
CA12 O43570 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL3892973 0.82 PGK1 (0.48) PGK1PGK2PTPN1PTPN5
SCHEMBL778974 0.81 PTPN1 (0.65) PGK1PGK2PTPN1PTPN5
SCHEMBL14066332 0.76 PGK1 (0.50) PGK1PGK2PTPN1PTPN5KCNN4
SCHEMBL779191 0.72 PGK1 (0.46) PGK1PGK2PTPN1PTPN5KCNN4
SCHEMBL17923871 0.72 PGK1 (0.46) PGK1PGK2PTPN1PTPN5KCNN4
SCHEMBL894263 0.72 PGK1 (0.55) PGK1PGK2PTPN1PTPN5KCNN4
SCHEMBL777522 0.71 PTPN1 (0.52) PGK1PGK2PTPN1PTPN5KCNN4
SCHEMBL1508004 0.68 ACHE (0.50) PGK1PGK2PTPN5KCNN4
SCHEMBL780813 0.68 PTPN1 (0.44) PGK1PGK2PTPN1PTPN5KCNN4
SCHEMBL17923941 0.68 PGK1 (0.42) PGK1PGK2PTPN1PTPN5KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 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