SCHEMBL7033766

SCHEMBL7033766

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

nearest known ligand 0.46

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 3/20 0.40
CHRM3 known ✓ P20309 3/20 0.40
ACHE known ✓ P22303 1/20 0.34
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.40
CHRM5 P08912 3/20 0.40
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BBOX1 O75936 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37

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
Sulfuric Acid SCHEMBL6473148 0.92 TSHR (0.50) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL34072 0.91 CHRM5 (0.50) TSHRTHRBCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1292784 0.91 CHRM5 (0.50) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL10767457 0.87 TSHR (0.43) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL9442198 0.87 TSHR (0.46) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL202124 0.87 TSHR (0.58) TSHRTHRBCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL352728 0.87 TSHR (0.58) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL28589432 0.86 TSHR (0.51) TSHRTHRBCHRM5CHRM1CHRM3
Bromide SCHEMBL1255402 0.85 TSHR (0.56) TSHRTHRBCHRM5CHRM1CHRM3
Iodide SCHEMBL1254986 0.85 TSHR (0.56) TSHRTHRBCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859941-A Dispersion type rheological agent 宁波市嘉化新材料科技有限公司 2016-08-17 CN claimed
CN-111373024-A Dishwashing cleaning composition 宝洁公司 2020-07-03 CN disclosed
CN-104877080-A Preparation method of chitosan-grafted and organosilicone-modified amphoteric polyacrylamide JIANGSU FEYMER TECHNOLOGY CO LTD 2015-09-02 CN disclosed
EP-0879828-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ARTICLES NIPPON KAYAKU KK (JP) 2003-03-05 EP disclosed
US-6254958-B1 CURABLE COPOLYMER OF N-ALKOXYMETHYLACRYLAMIDE AND ACRYLOYLOXY ALKYL TRIALKYL AMMONIUM ALKYL SULFATE, PHOTOINITIATOR AND GRAIN FLOUR; HIGH SPEED INK ABSORPTION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
EP-0879828-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ARTICLES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-11-25 EP disclosed
US-4001151-A DENTURE ADHESIVES, POLYETHYLENE, POLYPROPYLENE WARNER-LAMBERT COMPANY (US) 1977-01-04 US disclosed