SCHEMBL9753145

SCHEMBL9753145

CC(=NO)C(C)CC(C)C#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL8613890 0.73 TSHR (0.36) TSHR
SCHEMBL9753133 0.70 TSHR (0.43) TSHR
SCHEMBL12050688 0.69
SCHEMBL305565 0.69
SCHEMBL4094042 0.69
SCHEMBL8534653 0.68 NAALAD2 (0.43) TSHR
SCHEMBL11648965 0.68
SCHEMBL11648969 0.68
SCHEMBL8973022 0.66
Methyl Alcohol SCHEMBL29098942 0.66 TSHR (0.42) TSHR

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
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 WO disclosed