SCHEMBL4893057

SCHEMBL4893057

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

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL28119981 0.83 TSHR (0.47) ALDH1A1TSHR
SCHEMBL5889388 0.81 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL448845 0.79 TSHR (0.55) ALDH1A1TSHR
SCHEMBL11799300 0.79 TSHR (0.55) ALDH1A1TSHR
SCHEMBL10627188 0.79 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL1924504 0.77 TSHR (0.49) ALDH1A1TSHR
SCHEMBL440641 0.76 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL11721506 0.76 TSHR (0.42) ALDH1A1TSHR
SCHEMBL15519639 0.75 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL4888140 0.75 ALDH1A1 (0.55) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
CN-105246872-A Cyanoacrylate compositions Henkel US IP LLC 2016-01-13 CN disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed