SCHEMBL29501029

SCHEMBL29501029

C=CC(=O)OC(O)(CC)c1ccc([Se]C)cc1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.34

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
SCHEMBL1047064 0.82 THRB (0.41) THRB
SCHEMBL29501071 0.80 THRB (0.32) THRB
Hydrochloric Acid SCHEMBL7049938 0.69 THRB (0.33) THRB
SCHEMBL28385365 0.66 THRB (0.44) THRB
SCHEMBL9489056 0.66 THRB (0.37) THRB
SCHEMBL20494345 0.66 THRB (0.37) THRB
SCHEMBL9817921 0.66 THRB (0.41) THRB
SCHEMBL15522234 0.65 ALDH1A1 (0.33) THRB
SCHEMBL31390458 0.65 THRB (0.43) THRB
SCHEMBL996460 0.65 THRB (0.43) THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380728-B Novel diaryl-beta-lactam organic selenium compound, preparation method and application thereof in pharmacy 复旦大学 2024-04-30 CN disclosed
CN-114380728-A Novel diaryl-beta-lactam organic selenium compound, preparation method and application thereof in pharmacy 复旦大学 2022-04-22 CN disclosed