SCHEMBL871392

SCHEMBL871392

COCNC(=O)OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.31
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL871078 0.81 ACHE (0.40) HTTACHEALDH1A1MEN1KMT2A
SCHEMBL967570 0.79 HTT (0.45) HTTNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL24687424 0.79 HTT (0.48) HTTNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL871321 0.78 TSHR (0.49) ACHEALDH1A1TSHR
SCHEMBL21680809 0.77 HTT (0.46) HTTCYP1A2CYP2C9NPC1RAB9A
SCHEMBL1783247 0.77 HTT (0.46) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28096910 0.77 HTT (0.46) HTTNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL12223162 0.76 ACHE (0.47) HTTACHEALDH1A1MEN1KMT2A
SCHEMBL12224099 0.76 HTT (0.42) HTTNPC1RAB9ASMN1; SMN2ACHE
SCHEMBL965595 0.74 HTT (0.48) HTTNPC1RAB9ASMN1; SMN2ALDH1A1

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