SCHEMBL9019231

SCHEMBL9019231

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL2558387 0.84
SCHEMBL17400860 0.84
SCHEMBL27479421 0.82
SCHEMBL8041239 0.76 LMNA (0.50)
Isobutyraldehyde SCHEMBL9790327 0.73
SCHEMBL10955194 0.71 TSHR (0.33) TSHR
Acetonitrile SCHEMBL6245822 0.70
SCHEMBL3207667 0.70 ALDH1A1 (0.36)
Acetaldehyde SCHEMBL1401397 0.70 TSHR (0.43) TSHR
Acetaldehyde SCHEMBL225414 0.70

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-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP claimed