SCHEMBL29047895

SCHEMBL29047895

C=C(CC)C(=O)ON=C=S

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL29743598 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL15639877 0.77
SCHEMBL3915495 0.74
SCHEMBL1923846 0.70 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL27958808 0.69
SCHEMBL27822867 0.68
SCHEMBL8885527 0.68 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL8953258 0.68 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL3838445 0.67
SCHEMBL10623196 0.67 ALOX15 (0.40) 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-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed