SCHEMBL6576220

SCHEMBL6576220

C=CC(=O)OC(CC)OC(N)CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 2/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5364252 0.97 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2921941 0.87 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL149786 0.83
SCHEMBL1138627 0.82 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
Bromide SCHEMBL29244222 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL28480383 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5393796 0.81 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5666395 0.80 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
Butane SCHEMBL1034123 0.79 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11135077 0.79 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728822-B1 Aqueous paint composition ROHM & HAAS (US) 2004-04-28 EP disclosed
EP-1144533-A3 HIGH TEMPERATURE POLYOLEFIN BASED ADHESIVE FILM WITH IMPROVED POLARITY FOR ADHERING TO POLYURETHANE FOAMS The Dow Chemical Company (US) 2002-03-13 EP disclosed
EP-1144533-A2 HIGH TEMPERATURE POLYOLEFIN BASED ADHESIVE FILM WITH IMPROVED POLARITY FOR ADHERING TO POLYURETHANE FOAMS Dow Global Technologies Inc. (US) 2001-10-17 EP disclosed
US-6084029-A POLYOLEFINS GRAFTED WITH AN UNSATURATED CARBOXYLIC ACID AND/OR AN UNSATURATED CARBOXYLIC ACID ANHYDRIDE AND A POLYMERIC OR OLIGOMERIC POLYAMINE, FOR EXTRUSION OR CASTING THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed
WO-2000006660-A2 HIGH TEMPERATURE POLYOLEFIN BASED ADHESIVE FILM WITH IMPROVED POLARITY FOR ADHERING TO POLYURETHANE FOAMS THE DOW CHEMICAL COMPANY (US) 2000-02-10 WO disclosed
EP-0798350-B1 Paint composition ROHM & HAAS (US) 1999-09-29 EP disclosed
US-5705560-A PAINTS, ANIONIC POLYMER ROHM AND HAAS COMPANY (US) 1998-01-06 US disclosed
EP-0798350-A1 Paint composition ROHM AND HAAS COMPANY (US) 1997-10-01 EP disclosed
EP-0594321-B1 Aqueous composition ROHM & HAAS (US) 1997-03-05 EP disclosed
EP-0728822-A2 Aqueous paint composition ROHM AND HAAS COMPANY (US) 1996-08-28 EP disclosed
EP-0594321-A1 Aqueous composition ROHM AND HAAS COMPANY (US) 1994-04-27 EP disclosed