SCHEMBL8993187

SCHEMBL8993187

CC(=CC(Cl)CCO)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 1/20 0.30
ALOX15 P16050 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
SCHEMBL9180520 0.84 CHRM1 (0.39)
SCHEMBL13740600 0.84
SCHEMBL10434577 0.84 ALDH1A1 (0.32) ALDH1A1PTGS1AKR1C3
SCHEMBL28279029 0.81 CA2 (0.41)
SCHEMBL2477920 0.80 GABRP (0.32)
SCHEMBL346952 0.80 GABRP (0.32)
SCHEMBL3880964 0.80 ALDH1A1 (0.33) ALDH1A1ALOX15
SCHEMBL3880960 0.80 ALDH1A1 (0.33) ALDH1A1ALOX15
SCHEMBL27690784 0.79 UTS2R (0.31) ALDH1A1
SCHEMBL4940099 0.79 ALDH1A1 (0.32) ALDH1A1PTGS1AKR1C3

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-0371822-B1 Copolymers of 3-methacryloyloxy-2-hydroxypropyl trimethylammonium chloride monomer and vinyl monomer S N F (FR) 1996-08-14 EP disclosed
US-5132383-A Salt formation by reacting halohydroxypropyl methacrylate mixtures with trialkylamine; addition polymerization; flocculants POLYPURE, INC. (US) 1992-07-21 US disclosed
EP-0371823-A1 Crystalline 3-methacryloyloxy-2-hydroxypropyl-trimethylammonium chloride monomer POLYPURE INC. (US) 1990-06-06 EP disclosed
EP-0371822-A1 Copolymers of 3-methacryloyloxy-2-hydroxypropyl trimethylammonium chloride monomer and vinyl monomer S. N. F. (FR) 1990-06-06 EP disclosed