SCHEMBL9245477

SCHEMBL9245477

C=C(C)C(=O)OCC.CCOC(=O)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
EGLN1 Q9GZT9 1/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 2/20 0.37
GLO1 Q04760 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL12376765 0.89 EGLN1 (0.50) EGLN1ALDH1A1GAAMGAMSI
Chloromethane SCHEMBL17453350 0.80 THRB (0.59) THRBEGLN1TSHRALDH1A1GAA
SCHEMBL19409375 0.80 THRB (0.64) THRBEGLN1TSHRALDH1A1GAA
SCHEMBL15030 0.80
Tert-Butylamine SCHEMBL463083 0.79 THRB (0.53) THRBTSHRALDH1A1GAAMGAM
Dimethylamine SCHEMBL8665783 0.79 THRB (0.53) THRBEGLN1TSHRALDH1A1GAA
Dimethylamine SCHEMBL321116 0.78 THRB (0.57) THRBEGLN1TSHRALDH1A1GAA
Ammonia Solution, Strong SCHEMBL2598325 0.78
Ethane SCHEMBL21616541 0.78 THRB (0.61) THRBEGLN1TSHRALDH1A1GAA
Hydrochloric Acid SCHEMBL675826 0.78

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