SCHEMBL29060977

SCHEMBL29060977

C=CC(=O)C(CS(=O)(=O)O)N(CC)CC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL94258 0.81
SCHEMBL29642706 0.80
Ammonia Solution, Strong SCHEMBL2802434 0.80
Acrylamide SCHEMBL30508942 0.76 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL9752316 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
Acrylic Acid SCHEMBL4760578 0.75
SCHEMBL27472777 0.73 FDPS (0.32) ALDH1A1TSHR
Methacrylic Acid SCHEMBL29429657 0.72
SCHEMBL15112007 0.71 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL2226362 0.71 TSHR (0.33) ALDH1A1TSHR

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-115397520-A Oil-in-water type emulsion cosmetic 花王株式会社 2022-11-25 CN disclosed