SCHEMBL4891891

SCHEMBL4891891

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4885635 0.87 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4895741 0.84 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL4891850 0.83 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL27919024 0.80 TSHR (0.58) ALDH1A1TSHR
SCHEMBL462000 0.80 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL5889388 0.78 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL487320 0.78 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL4888281 0.77 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL4890624 0.77 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL28362668 0.77 ALDH1A1 (0.43) 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