SCHEMBL11263007

SCHEMBL11263007

COC(C)(C#N)CC(C)C=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4600041 0.77
SCHEMBL6484596 0.74 TSHR (0.38) TP53TSHR
SCHEMBL15619023 0.71
SCHEMBL2532160 0.69 TP53 (0.36) TP53TSHR
SCHEMBL12216602 0.67
SCHEMBL1705841 0.67
SCHEMBL16236892 0.65
SCHEMBL5162883 0.64
SCHEMBL14034845 0.63
SCHEMBL20017013 0.63

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-0044613-A2 Oil- and low temperature-resistant fluorine-containing elastomer ASAHI GLASS COMPANY LTD. (JP) 1982-01-27 EP disclosed