SCHEMBL4891850

SCHEMBL4891850

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

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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 0.90 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4888652 0.89 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4885027 0.86 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL2675454 0.84 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL4891891 0.83 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL7545696 0.83 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL4891387 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL15519639 0.79 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL4892530 0.79 TSHR (0.44) ALDH1A1TSHR
SCHEMBL27919024 0.78 TSHR (0.58) 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