SCHEMBL776558

SCHEMBL776558

CC(CF)CCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
APP P05067 1/20 0.32
ENPEP Q07075 4/20 0.30
TP53 P04637 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL2680752 0.78 ENPEP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11872496 0.78 TSHR (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11341696 0.78 PTGS1 (0.36) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL4583294 0.78 ENPEP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL27882009 0.76 ENPEP (0.36) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL28530390 0.76 APP (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5637992 0.76 TSHR (0.44) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL28045316 0.76 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8370891 0.76 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL14915359 0.76 APP (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19

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