Cetrimonium

Cetrimonium

SCHEMBL5380732

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.58
APAF1 O14727 1/20 0.54
HSP90AA1 P07900 1/20 0.54
RAD52 P43351 1/20 0.54
ENPP2 Q13822 4/20 0.51
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
APEX1 P27695 3/20 0.42
NFKB1 P19838 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ACHE P22303 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PMP22 Q01453 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Vinylsulfonic Acid SCHEMBL5376241 1.00 DNM1 (0.58) DNM1APAF1HSP90AA1RAD52ENPP2
Cetrimonium SCHEMBL5380726 0.89 DNM1 (0.58) DNM1APAF1HSP90AA1RAD52ENPP2
Vinylsulfonic Acid SCHEMBL5376237 0.89 DNM1 (0.58) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL11744116 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL2004006 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL721283 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL9698125 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL9464362 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL589212 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52ENPP2
Sulfuric Acid SCHEMBL6684704 0.86 DNM1 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270753-B2 Surfactant-like polymer gel and a method for separating material using same THE PROVINCE OF GYEONGGI (KR) 2007-09-18 US claimed
US-20060049107-A1 Surfactant-like polymer gel and a method for separating material using same THE PROVINCE OF GYEONGGI (KR) 2006-03-09 US claimed
WO-2004013208-A1 A SURFACTANT-LIKE POLYMER GEL AND A METHOD FOR SEPARATING MATERIAL USING SAME KIM HONGDOO (KR) 2004-02-12 WO claimed