SCHEMBL9188552

SCHEMBL9188552

C=C(C)C(=O)N[N+](C)(C)CCC.COS(=O)(=O)O

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL34095 0.87 TGFBR1 (0.33) ALDH1A1TGFBR1
Hydrochloric Acid SCHEMBL7945238 0.85 TSHR (0.32) ALDH1A1TGFBR1
Ammonia Solution, Strong SCHEMBL27706627 0.78 ALDH1A1 (0.35) ALDH1A1TGFBR1
SCHEMBL9191360 0.78 ZDHHC20 (0.37)
SCHEMBL5449299 0.76
SCHEMBL8780217 0.76 TSHR (0.39)
SCHEMBL29626817 0.74 TGFBR1 (0.32) TGFBR1
SCHEMBL6222153 0.73 TSHR (0.41)
SCHEMBL2773074 0.73 TSHR (0.41)
SCHEMBL16114711 0.73 EPHX1 (0.36) ALDH1A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469196-B1 Terpolymer flocculants S N F (FR) 1995-10-11 EP disclosed
EP-0469196-A1 Terpolymer flocculants S. N. F. (FR) 1992-02-05 EP disclosed
US-5019275-A Acrylamide-Oxyalkyl Acrylate-Ammoniumalkyl Acrylate Terpolymer POLYPURE, INC. (US) 1991-05-28 US disclosed
US-4981936-A CATIONIC FLOCCULANTS POLYPURE, INC. (US) 1991-01-01 US disclosed