SCHEMBL11637243

SCHEMBL11637243

C=CC(=O)O[C@H](C#N)C=C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL196173 1.00 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11044129 0.82
SCHEMBL1960557 0.80
1-Cyanoallyl Acetate SCHEMBL347682 0.78
SCHEMBL1963001 0.78
SCHEMBL13756082 0.77 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
1-Cyanoallyl Acetate SCHEMBL28614624 0.75 TSHR (0.34) TSHR
SCHEMBL11500858 0.75 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL371301 0.75 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL13185794 0.74

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001843-A1 Acrylate ester copolymer elastomers The B.F. GOODRICH Company (US) 1979-05-16 EP disclosed