SCHEMBL29219360

SCHEMBL29219360

CC(C)(C)B(O)O.CC(C)(O)C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38

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
SCHEMBL1453178 0.87
Boric Acid SCHEMBL4139673 0.82 THRB (0.43) THRB
Boric Acid SCHEMBL28285073 0.82 THRB (0.43) THRB
Boric Acid SCHEMBL4976220 0.82 THRB (0.43) THRB
Boric Acid SCHEMBL474845 0.82 THRB (0.43) THRB
Boric Acid SCHEMBL594481 0.82 THRB (0.43) THRB
Boric Acid SCHEMBL17962526 0.82 THRB (0.43) THRB
Boric Acid SCHEMBL28207524 0.78 THRB (0.40) THRB
Boric Acid SCHEMBL28194459 0.78 THRB (0.40) THRB
Boric Acid SCHEMBL28230424 0.78 THRB (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN disclosed