SCHEMBL4895741

SCHEMBL4895741

C=C(C#N)C(=O)OC(C)OCC(C)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
SCHEMBL4890624 0.84 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL4891891 0.84 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL487320 0.81 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL28719480 0.81 TSHR (0.50) ALDH1A1TSHR
SCHEMBL35728 0.80 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL462000 0.80 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL440284 0.80 TSHR (0.56) ALDH1A1TSHR
SCHEMBL4893053 0.79 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL16872718 0.79 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL26099575 0.79 ALDH1A1 (0.46) 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