SCHEMBL9336358

SCHEMBL9336358

CC(=CCC(C=C(C)C(=O)O)CCl)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9336354 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25273758 0.85 PTGS1 (0.32)
SCHEMBL22491939 0.84
SCHEMBL10440194 0.79
SCHEMBL596364 0.78 CD81 (0.33) ALDH1A1
SCHEMBL445324 0.78 CD81 (0.33) ALDH1A1
SCHEMBL8593969 0.78 TP53 (0.32) ALDH1A1
SCHEMBL4938559 0.78 TP53 (0.32) ALDH1A1
SCHEMBL6853268 0.77 CD81 (0.31)
SCHEMBL6256856 0.75 GRIK1 (0.32)

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-0371821-B1 A process for the production of substituted acryloyloxyhydroxypropyltrialkylammonium chloride RHONE POULENC SPEC CHIM (US) 1994-05-25 EP disclosed
US-5008444-A Reacting halohydroxypropyl (meth)acrylate with trialkylamine in nonsolvent for quaternary salt POLYPURE, INC. (US) 1991-04-16 US disclosed
EP-0371823-A1 Crystalline 3-methacryloyloxy-2-hydroxypropyl-trimethylammonium chloride monomer POLYPURE INC. (US) 1990-06-06 EP disclosed
EP-0371821-A1 A process for the production of substituted acryloyloxyhydroxypropyltrialkylammonium chloride RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1990-06-06 EP disclosed