Urethane

Urethane

SCHEMBL9067342

C=CC(=O)OCCO.CCOC(N)=O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.68
ALOX15 P16050 1/20 0.54
HPGD P15428 1/20 0.52
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
THRB P10828 2/20 0.44
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Urethane SCHEMBL9064790 0.95 TSHR (0.61) TSHRALOX15HPGDALDH1A1TP53
Urethane SCHEMBL9064785 0.91 ALOX15 (0.60) TSHRALOX15HPGDALDH1A1TP53
Urethane SCHEMBL28236957 0.90 TSHR (0.58) TSHRALOX15HPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL3693882 0.89 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Urethane SCHEMBL27676158 0.87 TSHR (0.58) TSHRALOX15HPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL8816928 0.87 ALOX15 (0.65) TSHRALOX15HPGDALDH1A1TP53
Urea SCHEMBL29140398 0.85 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL28276836 0.85 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A
Urethane SCHEMBL28157464 0.84 TSHR (0.76) TSHRALOX15HPGDALDH1A1TP53
Ether SCHEMBL2120616 0.83 TSHR (0.76) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096445-A A kind of wear-resisting organic glass 蚌埠承永玻璃制品有限公司 2018-12-28 CN claimed
CN-109092381-A A method of paper chip is prepared based on aqueous polyurethane acrylate 中国科学院烟台海岸带研究所 2018-12-28 CN disclosed
EP-0424219-B1 Polycarbonate-polyol composition and polycarbonate (meth) acrylate compositions and urethane (meth) acrylate compositions prepared therefrom DAICEL CHEM (JP) 1996-05-08 EP disclosed
US-5143997-A Photo-curable or electron-beam curable coatings DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0424219-A2 Polycarbonate-polyol composition and polycarbonate (meth) acrylate compositions and urethane (meth) acrylate compositions prepared therefrom DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-04-24 EP disclosed