SCHEMBL23655222

SCHEMBL23655222

C=C(N=O)c1cccc2c1OB(O)C1CC21

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.48

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
SCHEMBL23655023 0.81 CAT (0.63) CAT
SCHEMBL23837303 0.65 PARP1 (0.33) —
Xeruborbactam SCHEMBL23655292 0.65 CAT (1.00) CAT
SCHEMBL23655245 0.65 CAT (0.56) CAT
SCHEMBL23655027 0.65 CAT (0.56) CAT
SCHEMBL23655226 0.60 CAT (0.45) CAT
SCHEMBL24995934 0.59 CAT (0.60) CAT
SCHEMBL24526275 0.55 CAT (0.40) CAT
SCHEMBL27268876 0.54 — —
SCHEMBL13306572 0.53 KDM4E (0.38) —

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-3478693-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2021-07-21 — — EP disclosed
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