SCHEMBL11529591

SCHEMBL11529591

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

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL947653 0.84
Bromide SCHEMBL4910660 0.82
Hydrochloric Acid SCHEMBL271096 0.82
Iodide SCHEMBL9817902 0.82
SCHEMBL17707258 0.74
SCHEMBL691735 0.73 ALDH1A1 (0.36)
SCHEMBL11203646 0.73 ALDH1A1 (0.36)
Hydrochloric Acid SCHEMBL4156319 0.72 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL1292785 0.72 ALDH1A1 (0.35)
SCHEMBL6544577 0.71 SLC22A16 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153055-A ACRYLAMIDE, SODIUM ACRYLATE, QUATERNARY SALT OF DIMETHYLAMINOETHYL ACRYLATE NORTHERN ILLINOIS RESEARCH, INC. (US) 1979-05-08 US claimed
US-4078568-A NON-IONIC AND CATIONIC ACRYLIC ELECTROLYTES NORTHERN ILLINOIS RESEARCH, INC. (US) 1978-03-14 US claimed
EP-3015481-B1 AQUEOUS DISPERSION OF FLUORINATED COPOLYMER UNIMATEC CO LTD (JP) 2018-08-22 EP disclosed
US-10023733-B2 Aqueous dispersion of fluorine-containing copolymer UNIMATEC CO., LTD. (JP) 2018-07-17 US disclosed
US-20160185948-A1 AQUEOUS DISPERSION OF FLUORINE-CONTAINING COPOLYMER UNIMATEC CO., LTD. (JP) 2016-06-30 US disclosed
EP-3015481-A1 AQUEOUS DISPERSION OF FLUORINATED COPOLYMER Unimatec Co., Ltd. (JP) 2016-05-04 EP disclosed
US-4153055-A ACRYLAMIDE, SODIUM ACRYLATE, QUATERNARY SALT OF DIMETHYLAMINOETHYL ACRYLATE NORTHERN ILLINOIS RESEARCH, INC. (US) 1979-05-08 US disclosed
EP-0000628-A1 Process of preparing hydrophilic polyolefin fibers, the fibers so produced, and paper containing said fibers. HERCULES INCORPORATED (US) 1979-02-07 EP disclosed
US-4078568-A NON-IONIC AND CATIONIC ACRYLIC ELECTROLYTES NORTHERN ILLINOIS RESEARCH, INC. (US) 1978-03-14 US disclosed