SCHEMBL3168263

SCHEMBL3168263

C#CCN(CC(=O)O)C(=O)OCC=C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3160765 0.83 TSHR (0.36) TSHR
SCHEMBL3176236 0.82 TSHR (0.39) TSHR
SCHEMBL3176193 0.81 TDP1 (0.35) TSHR
SCHEMBL3170799 0.80 TSHR (0.40) TSHR
SCHEMBL3161143 0.80 TSHR (0.34) TSHR
SCHEMBL3177444 0.79 TSHR (0.37) TSHR
SCHEMBL3170526 0.78 TSHR (0.44) TSHR
SCHEMBL3177360 0.77 TSHR (0.35) TSHR
SCHEMBL5865663 0.76 CYP3A4 (0.34) TSHRCYP3A4
SCHEMBL11264263 0.74 PKM (0.33) CYP3A4

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
US-7645607-B2 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-12 US disclosed
EP-1705252-B1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20060216806-A1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED 2006-09-28 US disclosed
EP-1705252-A1 Method for producing optically active N-protected-propargylglycine Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed