Cetrimonium

Cetrimonium

SCHEMBL4813832

CCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.58
APAF1 O14727 1/20 0.54
HSP90AA1 P07900 1/20 0.54
RAD52 P43351 1/20 0.54
ENPP2 Q13822 4/20 0.47
EPHX1 P07099 1/20 0.47
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

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
Trifluoromethanesulfonic Acid SCHEMBL10660726 0.92 DNM1 (0.44) DNM1APAF1HSP90AA1RAD52ENPP2
Didecyldimethylammonium SCHEMBL15203614 0.89 HTT (0.58) DNM1HSP90AA1RAD52EPHX1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL1533994 0.89 EPHX1 (0.47) DNM1EPHX1HTTCES1
Trifluoromethanesulfonic Acid SCHEMBL17180002 0.89 HTT (0.58) DNM1HSP90AA1RAD52EPHX1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL17180015 0.89 HTT (0.58) DNM1HSP90AA1RAD52EPHX1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL2857301 0.88 SLC22A1 (0.54) DNM1EPHX1SMN1; SMN2HSD17B10TSHR
Tetrahexylammonium SCHEMBL2862383 0.88 SLC22A1 (0.54) DNM1EPHX1SMN1; SMN2HSD17B10TSHR
Trifluoromethanesulfonic Acid SCHEMBL302257 0.86 SLC22A1 (0.52) DNM1EPHX1SMN1; SMN2HSD17B10TSHR
Tetrapentylammonium SCHEMBL2862365 0.86 SLC22A1 (0.52) DNM1EPHX1SMN1; SMN2HSD17B10TSHR
Sulfuric Acid SCHEMBL9464362 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148537-A1 ELASTIC POLYURETHANE THREAD AND MANUFACTURING METHOD THEREOF TORAY OPELONTEX CO., LTD. (JP) 2014-05-29 US disclosed
EP-2631338-A1 ELASTIC POLYURETHANE THREAD AND MANUFACTURING METHOD THEREOF Toray Opelontex Co., Ltd (JP) 2013-08-28 EP disclosed
US-7341775-B2 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO. LTD. (JP) 2008-03-11 US disclosed
US-20060289849-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device SHIN-ETSU CHEMICAL CO., LTD. 2006-12-28 US disclosed
US-7119354-B2 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-10-10 US disclosed
EP-1580804-A1 COMPOSITION FOR POROUS FILM FORMATION, POROUS FILMS, PROCESS FOR PRODUCTION OF THE FILMS, INTERLAYER DIELECTRICS, AND SEMICONDUCTOR DEVICES MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-28 EP disclosed
US-20040235971-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2004-11-25 US disclosed
US-20040201007-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device SHIN-ETSU CHEMICAL CO., LTD. 2004-10-14 US disclosed