SCHEMBL4893685

SCHEMBL4893685

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4884988 0.99 TSHR (0.37) TSHRALDH1A1
SCHEMBL4893693 0.91 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL4890476 0.85 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL4888241 0.85 TSHR (0.45) TSHRALDH1A1
SCHEMBL4890624 0.83 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL4892558 0.80 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL28714427 0.79 TSHR (0.49) TSHRALDH1A1
SCHEMBL26675841 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL4885027 0.78 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL15519572 0.77 TSHR (0.47) TSHRALDH1A1

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