SCHEMBL25266213

SCHEMBL25266213

CNC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.73
▸ ECE1 P42892 12/20 0.71
▸ ALOX15 P16050 1/20 0.65

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
SCHEMBL25196442 1.00 ACE (0.73) ACEECE1ALOX15
SCHEMBL5193386 0.88 ACE (0.84) ACEECE1ALOX15
SCHEMBL19801761 0.88 ACE (0.84) ACEECE1ALOX15
SCHEMBL30052301 0.88 ACE (0.69) ACEECE1ALOX15
SCHEMBL30051310 0.87 ACE (0.68) ACEECE1ALOX15
SCHEMBL30050967 0.87 ACE (0.68) ACEECE1ALOX15
SCHEMBL30051553 0.87 ACE (0.68) ACEECE1ALOX15
SCHEMBL9068536 0.87 ACE (0.72) ACEECE1
SCHEMBL11232292 0.86 ACE (0.88) ACEECE1
Hydrochloric Acid SCHEMBL11229707 0.86 ACE (0.67) ACEECE1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185703-A1 IMPROVED PROCESS FOR PRODUCTION OF CLAVULANIC ACID SANDOZ AG (CH) 2023-05-31 — — EP disclosed
WO-2022018258-A1 IMPROVED PROCESS FOR PRODUCTION OF CLAVULANIC ACID SANDOZ AG (CH) 2022-01-27 — — WO disclosed
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