SCHEMBL9713945

SCHEMBL9713945

CC(C)(O)C(C)(C)O.CC(C)(O)C(C)(C)O.CC(C)(O)C(C)(C)O.OB(O)OB(O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33

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
SCHEMBL29365101 1.00 THRB (0.33) THRB
SCHEMBL29387988 1.00 THRB (0.33) THRB
SCHEMBL30617735 1.00 THRB (0.33) THRB
Boric Acid SCHEMBL30153708 0.97 THRB (0.32) THRB
SCHEMBL29375945 0.97 THRB (0.32) THRB
SCHEMBL30084969 0.84
SCHEMBL362363 0.79 THRB (0.33) THRB
SCHEMBL8850962 0.78 ALDH1A1 (0.59)
Boric Acid SCHEMBL594481 0.76 THRB (0.43) THRB
Boric Acid SCHEMBL17962526 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335940-B1 PRESERVATIVE ELEMENTS CONTAINING ORGANIC BORON COMPOUNDS AND THEIR USE MANCHEM LIMITED (GB) 1992-04-15 EP claimed