SCHEMBL22821546

SCHEMBL22821546

O=C(O)c1c(F)ccc2c1OB(O)[C@@H]1C#C[C@H]21

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.59

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
SCHEMBL22821240 0.80 CAT (0.64) CAT
Xeruborbactam SCHEMBL21012607 0.74 CAT (1.00) CAT
Xeruborbactam SCHEMBL21012432 0.74 CAT (1.00) CAT
Xeruborbactam SCHEMBL22854594 0.74 CAT (1.00) CAT
SCHEMBL22821243 0.74 CAT (0.60) CAT
Xeruborbactam SCHEMBL23655292 0.74 CAT (1.00) CAT
Xeruborbactam SCHEMBL21012430 0.74 CAT (1.00) CAT
SCHEMBL22821227 0.73 CAT (0.78) CAT
SCHEMBL21497092 0.67 CAT (0.54) CAT
SCHEMBL21012603 0.67 CAT (0.64) CAT

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
WO-2020257306-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2020-12-24 — — WO disclosed
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