SCHEMBL777943

SCHEMBL777943

CCc1cccc([PH](=O)O)c1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PDK2 Q15119 1/20 0.34
PTPN5 P54829 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 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
SCHEMBL779753 0.90 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL5667844 0.83 GABRA1 (0.45) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL776502 0.82 TRPA1 (0.31)
SCHEMBL2700242 0.78 HCRTR1 (0.30) GABRA1GABRB2
SCHEMBL575314 0.73 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL27633779 0.72 GABRA1 (0.45) GABRA1GABRB2TAAR1
SCHEMBL27633906 0.72 GABRA1 (0.35) GABRA1GABRB2TAAR1SCN5A
SCHEMBL778597 0.72 PTPN5 (0.36) PTPN5
SCHEMBL30100379 0.71 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL781337 0.71 CYSLTR2 (0.33)

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