SCHEMBL23654599

SCHEMBL23654599

CCOC(=O)COC(=O)OCOC(=O)c1c(F)ccc2c1OB(O)C1CC21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.56
▸ NLRP3 Q96P20 1/20 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
SCHEMBL21012436 1.00 CAT (0.56) CATNLRP3
SCHEMBL23654578 1.00 CAT (0.56) CATNLRP3
SCHEMBL21012423 0.93 CAT (0.61) CAT
SCHEMBL23655053 0.93 CAT (0.61) CAT
SCHEMBL21012459 0.89 CAT (0.56) CAT
SCHEMBL23654597 0.89 CAT (0.56) CAT
SCHEMBL21012461 0.88 CAT (0.60) CAT
SCHEMBL23655280 0.88 CAT (0.60) CAT
SCHEMBL23655316 0.87 CAT (0.61) CAT
SCHEMBL21012442 0.87 CAT (0.61) 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
EP-3478693-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2021-07-21 — — EP disclosed
Send feedback