SCHEMBL775719

SCHEMBL775719

O=S(=O)(O)CCCC(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
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
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL15670443 0.93 APP (0.41) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL18284250 0.91 APP (0.39) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL777016 0.85 PTGS1 (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL27621286 0.85 APP (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL4758438 0.81 APP (0.42) APPPTGS1PDE4ALMNASLC6A6
1,4-Butanediol SCHEMBL2058145 0.80 ATR (0.34) APPPTGS1PDE4ALMNASLC6A6
1,3-Propanediol SCHEMBL2057227 0.80 ATR (0.34) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL31303493 0.80 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL216634 0.80 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL14775555 0.80 CES1 (0.35) CA1CA2

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