SCHEMBL871173

SCHEMBL871173

COCCN(C)C(=O)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HTT P42858 1/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
MLYCD O95822 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LRRK2 Q5S007 2/20 0.32
SCN9A Q15858 1/20 0.32
NAMPT P43490 2/20 0.31
GAA P10253 1/20 0.30
ALOX12 P18054 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
SCHEMBL872316 0.81 HTT (0.41) HTT
SCHEMBL872425 0.79 MLYCD (0.48) HTTMLYCDLRRK2NAMPTGAA
SCHEMBL301733 0.79 CHRNB2 (0.44) HDAC4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL871182 0.78 CHRNB2 (0.45) HDAC4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17623039 0.77 CHRNB2 (0.40) HDAC4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16660461 0.77 CHRNB2 (0.40) HDAC4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15689619 0.76 CHRNB2 (0.39) HDAC4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2924441 0.74 HTT (0.48) HTTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872556 0.74 CHRNB2 (0.37) HDAC4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24596808 0.73 CTSK (0.41) HDAC4MLYCDCHRM2CHRM4CHRM5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2525433-B1 ELECTROLYTE CONTAINING AN AMIDE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE SAME LG CHEMICAL LTD (KR) 2016-12-07 EP claimed
US-8703345-B2 Electrolyte including amide compound and electrochemical device including the same LG CHEM, LTD. (KR) 2014-04-22 US claimed
EP-2525433-A2 ELECTROLYTE COMPRISING AN AMIDE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE ELECTROLYTE LG Chem, Ltd. (KR) 2012-11-21 EP claimed
US-20120077091-A1 ELECTROLYTE INCLUDING AMIDE COMPOUND AND ELECTROCHEMICAL DEVICE INCLUDING THE SAME LG CHEM, LTD. (KR) 2012-03-29 US claimed
EP-2525433-B1 ELECTROLYTE CONTAINING AN AMIDE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE SAME LG CHEMICAL LTD (KR) 2016-12-07 EP disclosed
US-8703345-B2 Electrolyte including amide compound and electrochemical device including the same LG CHEM, LTD. (KR) 2014-04-22 US disclosed
EP-2525433-A2 ELECTROLYTE COMPRISING AN AMIDE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE ELECTROLYTE LG Chem, Ltd. (KR) 2012-11-21 EP disclosed
US-20120077091-A1 ELECTROLYTE INCLUDING AMIDE COMPOUND AND ELECTROCHEMICAL DEVICE INCLUDING THE SAME LG CHEM, LTD. (KR) 2012-03-29 US disclosed