SCHEMBL777944

SCHEMBL777944

CCc1ccccc1P(=O)(O)CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HSD11B1 P28845 1/20 0.36
PTPN1 P18031 1/20 0.36
PDK2 Q15119 1/20 0.36
PGK1 P00558 3/20 0.34
PGK2 P07205 3/20 0.34
ALDH1A1 P00352 1/20 0.34
FDPS P14324 2/20 0.33
CFTR P13569 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
SCHEMBL779751 0.86 FDPS (0.37) PTPN5PTPN1PGK1PGK2FDPS
SCHEMBL778380 0.86 LIPG (0.37) PTPN5PTPN1
SCHEMBL779987 0.85 GABRA1 (0.40) PTPN5GABRA1GABRB2PTPN1PDK2
SCHEMBL776503 0.81 PGK1 (0.38) PTPN5PTPN1PGK1PGK2ALDH1A1
SCHEMBL6522210 0.80 GABRA1 (0.41) PTPN5GABRA1GABRB2ALDH1A1CFTR
SCHEMBL4132144 0.79 PTPN1 (0.38) PTPN5PTPN1PGK1PGK2FDPS
SCHEMBL777941 0.78 PTPN5 (0.40) PTPN5GABRA1GABRB2PTPN1PGK1
SCHEMBL6523567 0.77 TSHR (0.41) GABRA1GABRB2ALDH1A1CFTR
SCHEMBL5002506 0.77 GABRA1 (0.39) GABRA1GABRB2ALDH1A1CFTR
SCHEMBL779318 0.76 BID (0.33) PTPN5GABRA1GABRB2

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