SCHEMBL9245482

SCHEMBL9245482

C=C(C)C(=O)OCCN(C(=O)C(=O)OCC)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.34
GLO1 Q04760 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
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
SCHEMBL5843413 0.87 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4981371 0.86 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9245473 0.85 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21943129 0.82 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8356240 0.80 THRB (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17813797 0.80 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17758703 0.78 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10597742 0.77 THRB (0.56) THRBTSHRALDH1A1GLO1POLB
SCHEMBL17756350 0.77 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17522089 0.77 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442096-A Compound contains a alpha-ketoester and a polymerizable double bond NIPPON PAINT CO., LTD. (JP) 1995-08-15 US disclosed
EP-0621258-A1 Polymerisable compound and polymer therefrom Nippon Paint Co., Ltd. (JP) 1994-10-26 EP disclosed
US-5248749-A Adhesives and coatings NIPPON PAINT CO., LTD. (JP) 1993-09-28 US disclosed
US-5169896-A Curable mixture of compound having at least two hydroxyl group and homo- or copolymer with alpha-ketoester group and double bond; esterification; coatings, adhesives, plastics NIPPON PAINT CO., LTD. (JP) 1992-12-08 US disclosed
US-5117044-A Unsaturated ester NIPPON PAINT CO., LTD. (JP) 1992-05-26 US disclosed
EP-0378429-A2 Polymerisable compound and polymer therefrom NIPPON PAINT CO., LTD. (JP) 1990-07-18 EP disclosed