SCHEMBL11219646

SCHEMBL11219646

CC(O)OC(C)OC(C)C#N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL11230631 0.87
SCHEMBL9153481 0.87 TSHR (0.41) TSHR
SCHEMBL6694567 0.78 ALDH1A1 (0.39) TSHR
SCHEMBL6796444 0.76
SCHEMBL6700781 0.74 ALDH1A1 (0.36) TSHR
SCHEMBL264243 0.74
SCHEMBL27623259 0.72
SCHEMBL12630267 0.69
SCHEMBL5709950 0.69 ALDH1A1 (0.31)
SCHEMBL1988020 0.69

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
US-4333963-A FOR SOLVENT RESISTANT ACRYLATE COATINGS ROHM AND HAAS COMPANY (US) 1982-06-08 US disclosed