SCHEMBL28817544

SCHEMBL28817544

CC(=O)OC(C)(C)C/N=C/C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL28817543 0.73 GAA (0.32) GAA
SCHEMBL18951842 0.69 GAA (0.39) GAA
SCHEMBL9138775 0.68 GAA (0.56) GAA
SCHEMBL10456471 0.68 GAA (0.50) GAA
SCHEMBL29090047 0.66
SCHEMBL66105 0.66
SCHEMBL17574069 0.66 GAA (0.48) GAA
SCHEMBL2152110 0.65 CYP2D6 (0.34) GAA
SCHEMBL11693040 0.64
Ammonia Solution, Strong SCHEMBL4621896 0.64 GAA (0.46) GAA

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
CN-102159207-B Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2015-02-04 CN disclosed