SCHEMBL29116554

SCHEMBL29116554

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL11778777 0.84 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL18362417 0.79 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL6240721 0.78 TSHR (0.62) TSHRTHRBALDH1A1
SCHEMBL890577 0.76 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL1170959 0.75 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL890413 0.75 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL75001 0.75 TSHR (0.63) TSHRTHRBALDH1A1
SCHEMBL3974700 0.75 TSHR (0.63) TSHRTHRBALDH1A1
Acrylic Acid SCHEMBL20475065 0.75 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL137371 0.73 TSHR (0.61) TSHRTHRBALDH1A1

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-117164812-A Functionalized polyurethanes prepared from renewable materials 汉高股份有限及两合公司 2023-12-05 CN disclosed