SCHEMBL871078

SCHEMBL871078

COCCNC(=O)OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALPL P05186 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL871321 0.89 TSHR (0.49) ACHEHDAC4HDAC6ALDH1A1
SCHEMBL12223162 0.81 ACHE (0.47) ACHEL3MBTL1HTTMEN1KMT2A
SCHEMBL871392 0.81 HTT (0.42) ACHEHTTMEN1KMT2AALDH1A1
SCHEMBL25447803 0.79 MEN1 (0.48) ACHEHTTMEN1KMT2AALDH1A1
SCHEMBL10902664 0.78 THRB (0.41) ACHEL3MBTL1HTTALDH1A1TDP1
SCHEMBL12097015 0.78 ACHE (0.63) ACHE
SCHEMBL871736 0.77 ACHE (0.47) ACHEMEN1KMT2A
SCHEMBL14001450 0.77 HTT (0.42) ACHEHTTHDAC6MEN1KMT2A
SCHEMBL29362788 0.77 HTT (0.42) ACHEHTTMEN1KMT2AALDH1A1
SCHEMBL967570 0.76 HTT (0.45) ACHEHTTMEN1KMT2AALDH1A1

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