SCHEMBL778912

SCHEMBL778912

C=CP(=O)(O)c1ccccc1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
FDPS P14324 2/20 0.35
PTPN1 P18031 1/20 0.34
PTPN5 P54829 2/20 0.33
PGK1 P00558 4/20 0.33
PGK2 P07205 4/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ACP3 P15309 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL776500 0.78 PTPN5 (0.38) TSHRFDPSPTPN1PTPN5PGK1
SCHEMBL779751 0.77 FDPS (0.37) FDPSPTPN1PTPN5PGK1PGK2
SCHEMBL777941 0.75 PTPN5 (0.40) TSHRFDPSPTPN1PTPN5PGK1
SCHEMBL777166 0.75 FDPS (0.43) TSHRALOX15FDPSPTPN1PTPN5
SCHEMBL781245 0.74 PGK1 (0.35) FDPSPTPN1PTPN5PGK1PGK2
SCHEMBL4128895 0.72 ALOX15 (0.53) TSHRALOX15PTPN1ALDH1A1KMT2A
SCHEMBL777623 0.71 TSHR (0.43) TSHRPTPN5
SCHEMBL778595 0.71 ALDH1A1 (0.33) FDPSPTPN1PTPN5ACP3ALDH1A1
SCHEMBL779660 0.70 PGK1 (0.37) FDPSPTPN1PTPN5PGK1PGK2
SCHEMBL779553 0.68 PGK1 (0.36) FDPSPTPN1PTPN5PGK1PGK2

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