SCHEMBL4889694

SCHEMBL4889694

C=C(C#N)C(=O)OC(C)OCCOCC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
THRB P10828 1/20 0.40

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
SCHEMBL4888227 0.90 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4889708 0.87 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL4891844 0.86 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL4888281 0.86 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL462000 0.85 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL4894014 0.85 TSHR (0.40) ALDH1A1TSHRTHRB
SCHEMBL4893053 0.84 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL4891378 0.83 TSHR (0.46) ALDH1A1TSHR
SCHEMBL11802505 0.83 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL9058082 0.81 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