SCHEMBL1502491

SCHEMBL1502491

C=C(C)C(=O)OOCC[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. 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
CHRM1 known ✓ P11229 6/20 0.37
CHRM3 known ✓ P20309 6/20 0.37
CHRM5 P08912 6/20 0.37
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA7 P36544 3/20 0.37
HTR1A P08908 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PGR P06401 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
GALR3 O60755 2/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL28275365 0.91 BBOX1 (0.35) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL7705795 0.87 CHRM5 (0.47) CHRM5CHRM1CHRM3CHRM2CHRM4
Bromide SCHEMBL4884844 0.85 GALR3 (0.48) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL737407 0.85 CHRM5 (0.48) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL1292784 0.84 CHRM5 (0.50) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL34072 0.84 CHRM5 (0.50) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28274196 0.82 BBOX1 (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
Ammonia Solution, Strong SCHEMBL27446144 0.79 CHRM5 (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL7033766 0.79 TSHR (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
Acrylic Acid SCHEMBL3918788 0.77 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4341359-A1 SCALE INHIBITOR METHODS AND COMPOSITIONS IN SEVERE OPERATING CONDITIONS ChampionX LLC (US) 2024-03-27 EP disclosed
WO-2023288093-A1 SCALE INHIBITOR METHODS AND COMPOSITIONS IN SEVERE OPERATING CONDITIONS CHAMPIONX USA INC. (US) 2023-01-19 WO disclosed
US-11407668-B1 Method for processing sludge ECOLAB USA INC. (US) 2022-08-09 US disclosed
US-8992688-B2 Lignin separation from lignocellulosic hydrolizates and acidified pulp mill liquors ECOLAB USA INC. (US) 2015-03-31 US disclosed
US-20140251318-A1 LIGNIN SEPARATION FROM LIGNOCELLULOSIC HYDROLIZATES AND ACIDIFIED PULP MILL LIQUORS ECOLAB USA INC. (US) 2014-09-11 US disclosed
US-7910371-B2 Method of monitoring treating agent residuals in water treatment processes NALCO COMPANY (US) 2011-03-22 US disclosed
US-7473334-B2 Method of preparing modified diallyl-N,N-disubstituted ammonium halide polymers NALCO COMPANY (US) 2009-01-06 US disclosed
EP-1839036-A2 METHOD OF MONITORING TREATING AGENT RESIDUALS AND CONTROLLING TREATING AGENT DOSAGE IN WATER TREATMENT PROCESSES Nalco Company (US) 2007-10-03 EP disclosed
EP-1802807-A2 METHOD OF PREPARING MODIFIED DIALLYL-N, N-DISUBSTITUTED AMMONIUM HALIDE POLYMERS Nalco Company (US) 2007-07-04 EP disclosed
EP-1799907-A2 METHOD OF PREPARING MODIFIED DIALLYL-N,N-DISUBSTITUTED AMMONIUM HALIDE POLYMERS Nalco Company (US) 2007-06-27 EP disclosed
US-20050258095-A1 Enzyme-assisted clarification and dewatering of wastewater NALCO COMPANY 2005-11-24 US disclosed
WO-2005073132-A1 ENZYME-ASSISTED CLARIFICATION AND DEWATERING OF WASTEWATER NALCO COMPANY (US) 2005-08-11 WO disclosed
US-6733674-B2 ADDING CELLULOLYTIC ENZYMES, OXIDANTS AND FLOCCULANTS TO SLUDGE TO FORM MIXTURE OF WATER AND COAGULATED AND FLOCCULATED SOLIDS; SEPARATING COAGULATED AND FLOCCULATED SOLIDS FROM THE WATER ONDEO NALCO COMPANY 2004-05-11 US disclosed
WO-2003064336-A1 METHOD OF DEWATERING SLUDGE USING ENZYMES ONDEO NALCO COMPANY (US) 2003-08-07 WO disclosed
US-20030141256-A1 Method of dewatering sludge using enzymes ECOLAB USA INC. 2003-07-31 US disclosed
EP-0667318-B1 Fluorescent tracer in sludge dewatering NALCO CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0667318-A1 Fluorescent tracer in sludge dewatering NALCO CHEMICAL COMPANY (US) 1995-08-16 EP disclosed
US-5413719-A To determine optimum amount of polyelectrolyte NALCO CHEMICAL COMPANY (US) 1995-05-09 US disclosed
EP-0114868-B1 VINYL ACETATE COPOLYMERS, LATEX COMPOSITIONS CONTAINING SAME AND THEIR USE EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-05-14 EP disclosed
US-4536292-A FOR AQUEOUS SYSTEMS CALGON CORPORATION (US) 1985-08-20 US disclosed