SCHEMBL4890476

SCHEMBL4890476

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4893693 0.89 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL4890624 0.89 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL4888140 0.88 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL4893685 0.85 TSHR (0.38) ALDH1A1TSHR
SCHEMBL4884988 0.84 TSHR (0.37) ALDH1A1TSHR
SCHEMBL4885635 0.81 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL28359031 0.81 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL448845 0.80 TSHR (0.55) ALDH1A1TSHR
SCHEMBL4892558 0.79 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL4888652 0.78 ALDH1A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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