Cetrimonium

Cetrimonium

SCHEMBL4309906

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]B([O-])F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.71
APAF1 O14727 1/20 0.65
HSP90AA1 P07900 1/20 0.65
RAD52 P43351 1/20 0.65
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
APEX1 P27695 3/20 0.52
NFKB1 P19838 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ACHE P22303 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PMP22 Q01453 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
LSS P48449 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL4305465 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL4312716 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL4302451 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL4303042 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL6378846 0.90 DNM1 (0.79) DNM1APAF1HSP90AA1RAD52MEN1
Cetrimonium SCHEMBL2556359 0.90 DNM1 (0.79) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL4303058 0.90 DNM1 (0.55) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL17199719 0.90 DNM1 (0.79) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL6378859 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1
Cetrimonium SCHEMBL2556361 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226797-A1 ELECTRIC STORAGE DEVICE AND ELECTRIC STORAGE SYSTEM UBE INDUSTRIES, LTD. (JP) 2009-09-10 US disclosed
US-20090067118-A1 ELECTRIC DOUBLE LAYER CAPACITOR UBE INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
EP-1816661-A1 ELECTRIC DOUBLE LAYER CAPACITOR Ube Industries, Ltd. (JP) 2007-08-08 EP disclosed