Cetalkonium

Cetalkonium

SCHEMBL6380754

CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.72
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
TP53 P04637 1/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HTT P42858 2/20 0.68
PSMD14 O00487 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MMP2 P08253 1/20 0.51
MC4R P32245 1/20 0.51
RAD52 P43351 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 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
Cetalkonium SCHEMBL8149290 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL8150784 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL6379291 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL8148836 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL8150421 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL8161443 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL8149303 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Miristalkonium Ion SCHEMBL17435024 1.00 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL17435033 0.96 DNM1 (0.74) DNM1MEN1KMT2ATP53MAPK1
Miristalkonium Ion SCHEMBL23754683 0.95 DNM1 (0.65) DNM1MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102351721-B Double-long chain ester-based quaternary ammonium salt and synthesis technology thereof UNIV JIANGNAN 2014-03-19 CN disclosed
CN-102351721-A Double-long chain ester-based quaternary ammonium salt and synthesis technology thereof UNIV JIANGNAN 2012-02-15 CN disclosed
EP-1114704-B1 Waterproofing/preservative compositions LONZA AG (US) 2005-11-23 EP disclosed
EP-1122044-B9 Use of waterproofer composition for the treatment of wood LONZA AG (US) 2005-09-14 EP disclosed
EP-1122044-B1 Use of waterproofer composition for the treatment of wood LONZA AG (US) 2005-04-20 EP disclosed
EP-0702517-B1 QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS LONZA AG (US) 2004-09-15 EP disclosed
EP-1122044-A1 Waterproofing/preservative compositions LONZA INC. (US) 2001-08-08 EP disclosed
EP-1121857-A1 Preparation of quarternary ammonium carbonates LONZA INC. (US) 2001-08-08 EP disclosed
EP-1114704-A2 Waterproofing/preservative compositions LONZA INC. (US) 2001-07-11 EP disclosed
US-6087303-A METAL-FREE WOOD PRESERVATIVE CONSISTS OF A BIOCIDE CONTAINING DIMETHYL-DI-C8-C12 ALKYLAMMONIUM CARBOXYLATE OR BORATE AND AN AQUEOUS SOLVENT LONZA, INC. (US) 2000-07-11 US disclosed
US-5891921-A WOOD PRESERVATIVE SYSTEMS COMPRISING BIOCIDAL EFFECTIVE AMOUNT OF QUATERNARY AMMONIUM CARBOXYLATE, ALKYL QUATERNARY AMMONIUM BORATE, AND SOLVENT LONZA INC. (US) 1999-04-06 US disclosed
EP-0702517-A4 QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS LONZA AG (US) 1999-02-03 EP disclosed
US-5700841-A WOOD PRESERVATIVES LONZA INC. (US) 1997-12-23 US disclosed
US-5641726-A WOOD PRESERVATIVES LONZA, INC. (US) 1997-06-24 US disclosed
EP-0702517-A1 QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS LONZA INC. (US) 1996-03-27 EP disclosed
WO-1994028715-A1 QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS LONZA INC. (US) 1994-12-22 WO disclosed