Benzethonium

Benzethonium

SCHEMBL139530

CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.O=[N+]([O-])C1(Br)COCOC1.[Cl-]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Benzethonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 2/20 0.68
CHRM1 known ✓ P11229 2/20 0.68
CHRM3 known ✓ P20309 2/20 0.68
ACHE known ✓ P22303 2/20 0.68
SLC6A2 known ✓ P23975 2/20 0.68
SLC6A3 known ✓ Q01959 2/20 0.68
BDKRB2 known ✓ P30411 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.68
HIF1A Q16665 4/20 0.68
MEN1 O00255 3/20 0.68
APAF1 O14727 3/20 0.68
USP2 O75604 3/20 0.68
ALDH1A1 P00352 3/20 0.68
TP53 P04637 3/20 0.68
MAPT P10636 3/20 0.68
RAD52 P43351 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 3/20 0.68
TSHR P16473 3/20 0.68
TDP1 Q9NUW8 3/20 0.68

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
Benzethonium SCHEMBL21713 0.83 SMN1; SMN2 (1.00) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL27797280 0.83 SMN1; SMN2 (1.00) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL976363 0.82 SMN1; SMN2 (0.98) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL28210479 0.82 SMN1; SMN2 (0.98) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL10341422 0.82 SMN1; SMN2 (0.98) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL7271857 0.82 SMN1; SMN2 (0.98) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL13278583 0.82 SMN1; SMN2 (0.98) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL122985 0.82 SMN1; SMN2 (1.00) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL976365 0.81 SMN1; SMN2 (0.96) SMN1; SMN2HIF1AMEN1APAF1USP2
Benzethonium SCHEMBL1951703 0.81 SMN1; SMN2 (0.98) SMN1; SMN2HIF1AMEN1APAF1USP2

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652108-B1 DILUTABLE CONCENTRATED CLEANING COMPOSITION COLGATE PALMOLIVE CO (US) 2019-07-24 EP disclosed
EP-2652107-B1 DILUTABLE CONCENTRATED CLEANING COMPOSITION COLGATE PALMOLIVE CO (US) 2019-03-27 EP disclosed
US-9862913-B2 Dilutable concentrated cleaning composition COLGATE-PALMOLIVE COMPANY (US) 2018-01-09 US disclosed
EP-2453003-B1 Liquid Detergent Composition COLGATE PALMOLIVE CO (US) 2017-05-03 EP disclosed
EP-2652107-A1 DILUTABLE CONCENTRATED CLEANING COMPOSITION Colgate-Palmolive Company (US) 2013-10-23 EP disclosed
EP-2652108-A1 DILUTABLE CONCENTRATED CLEANING COMPOSITION Colgate-Palmolive Company (US) 2013-10-23 EP disclosed
US-20130267451-A1 Dilutable Concentrated Cleaning Composition COLGATE-PALMOLIVE COMPANY (US) 2013-10-10 US disclosed
EP-2308957-B1 Liquid detergent composition COLGATE PALMOLIVE CO (US) 2013-03-06 EP disclosed
WO-2012082097-A1 DILUTABLE CONCENTRATED CLEANING COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2012-06-21 WO disclosed
WO-2012082096-A1 DILUTABLE CONCENTRATED CLEANING COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2012-06-21 WO disclosed
US-6586385-B1 Dishwashing fabric impregnated with anionic and nonionic surfactants and benzalkonium chloride COLGATE-PALMOLIVE CO. 2003-07-01 US disclosed
WO-2003050226-A1 CLEANING WIPE COLGATE-PALMOLIVE COMPANY (US) 2003-06-19 WO disclosed
US-6573232-B1 Cleaning wipe COLGATE-PALMOLIVE COMPANY 2003-06-03 US disclosed
US-6569828-B1 Cleaning wipe COLGATE-PALMOLIVE COMPANY 2003-05-27 US disclosed
WO-2003042349-A1 CLEANING WIPE COLGATE-PALMOLIVE COMPANY (US) 2003-05-22 WO disclosed
US-6551980-B1 Cleaning wipe COLGATE-PALMOLIVE COMPANY 2003-04-22 US disclosed
US-6534472-B1 An antibacterial dishwashing cleaning wipe comprising a single layer needle punched fabric wherein the fabric is impregnated with an antibacterial cleaning composition. COLGATE-PALMOLIVE COMPANY 2003-03-18 US disclosed
US-6525014-B1 Multilayer fabrics COLGATE-PALMOLIVE COMPANY 2003-02-25 US disclosed
US-6495508-B1 ANTISECPTIC NONWOVEN FABRIC IMPREGNATED WITH ZWITTERIONIC SURFACTANT, NONIONIC SURFACTANTS, DISINFECTING AGENT, COSUR-FACTANT, AN ALKANOL, OPTIONALLY A PROTON DONATING AGENT AND WATER; FLOORS, WALLS, FURNITURE COLGATE-PALMOLIVE COMPANY 2002-12-17 US disclosed
US-6489284-B1 DISHWASHING CLEANING WIPE COMPRISING A SINGLE LAYER NEEDLE PUNCHED FABRIC WHEREIN THE FABRIC IS IMPREGNATED WITH A CLEANING COMPOSITION; SINGLE USE COLGATE PALMOLIVE COMPANY 2002-12-03 US disclosed