Cetrimonium

Cetrimonium

SCHEMBL331244

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCS(=O)(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.60
APAF1 O14727 1/20 0.56
HSP90AA1 P07900 1/20 0.56
RAD52 P43351 1/20 0.56
ENPP2 Q13822 4/20 0.53
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
APEX1 P27695 3/20 0.44
NFKB1 P19838 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ACHE P22303 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PMP22 Q01453 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL331071 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL330713 1.00 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
Cetrimonium SCHEMBL27827464 0.94 DNM1 (0.54) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL10817018 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL10817099 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL1253212 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
Cetrimonium SCHEMBL10817299 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL11144693 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL5605270 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL10823188 0.92 DNM1 (0.60) DNM1APAF1HSP90AA1RAD52ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
CN-102977309-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSU CHEMICALS INC 2015-04-15 CN disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed