SCHEMBL587019

SCHEMBL587019

CC(CC(O)CCl)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 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
Hydrochloric Acid SCHEMBL194580 0.98 ALDH1A1 (0.39) ALDH1A1TSHRCA1CA2CA9
SCHEMBL7881968 0.75
Hydrochloric Acid SCHEMBL2186295 0.75 ALDH1A1 (0.36) ALDH1A1TSHRCA1CA2CA9
SCHEMBL11586722 0.73 CA1 (0.35) ALDH1A1TSHRCA1CA2CA9
SCHEMBL10605741 0.73 TSHR (0.50) ALDH1A1TSHRCA1CA2CA9
SCHEMBL13145071 0.73
Trimethylammonium SCHEMBL99807 0.72 CA1 (0.47) ALDH1A1TSHRCA1CA2CA9
SCHEMBL2119491 0.72
SCHEMBL18546833 0.72
SCHEMBL18546839 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791871-B1 PROCESS FOR PREPARING REDUCED ODOR LOW MOLECULAR WEIGHT CATIONIC POLYGALACTOMANNAN HERCULES INC (US) 2012-02-15 EP claimed
EP-1501873-B1 A CATIONIC POLYMER COMPOSITION AND ITS USE IN CONDITIONING APPLICATIONS HERCULES INC (US) 2007-05-30 EP claimed