SCHEMBL11020160

SCHEMBL11020160

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TRPM8 Q7Z2W7 5/20 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
SCHEMBL5005860 0.75
SCHEMBL4763152 0.74
SCHEMBL517723 0.71 TSHR (0.41) TSHR
Butane SCHEMBL7715952 0.70 FDPS (0.41)
SCHEMBL11891895 0.69
SCHEMBL22455362 0.69 TSHR (0.42) TSHR
SCHEMBL124930 0.69 TSHR (0.42) TSHR
SCHEMBL2779238 0.67
SCHEMBL11793622 0.66 ACHE (0.39) TSHR
SCHEMBL20606630 0.65 TSHR (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031796-B1 4-HETEROCYCLYL-4'-VINYL-STILBENES CIBA-GEIGY AG (CH) 1985-01-23 EP disclosed
US-4366189-A WHITENERS CIBA-GEIGY CORPORATION (US) 1982-12-28 US disclosed
US-4346016-A FOR NATURAL AND SYNTHETIC POLYMERS CIBA-GEIGY CORPORATION (US) 1982-08-24 US disclosed
EP-0031796-A2 4-Heterocyclyl-4'-vinyl-stilbenes CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed