SCHEMBL6560744

SCHEMBL6560744

O=C(O)CN(CC1([N+](=O)[O-])C=CC=CC1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4373036 0.70
SCHEMBL5053921 0.68 HSPA5 (0.33)
SCHEMBL30636389 0.67 LMNA (0.30)
SCHEMBL202173 0.66 TDP1 (0.50) TDP1
SCHEMBL11729646 0.63 TDP1 (0.47) TDP1
SCHEMBL547411 0.63 TDP1 (0.47) TDP1
SCHEMBL12610912 0.63 HTR1A (0.45)
SCHEMBL28226978 0.62 CES2 (0.36)
SCHEMBL27446992 0.62 CTSD (0.43) TDP1
SCHEMBL8331506 0.62 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644887-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID. SMITHKLINE BEECHAM PLC (GB) 1995-03-29 EP claimed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO claimed
EP-0804441-B1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 2004-03-17 EP disclosed
US-6300495-B1 REACTING ORGANIC AMINE SALT OF CLAVULANIC ACID WITH METAL SALT IN LIQUID MEDIUM OF FLUORINATED AND/OR CHLORINATED HYDROCARBON SMITHKLINE BEECHAM P.L.C. (GB) 2001-10-09 US disclosed
US-6172221-B1 AMINE SALT FORMATION SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-09 US disclosed
EP-0970087-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998045300-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed
EP-0806426-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-11-12 EP disclosed
EP-0804441-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 1997-11-05 EP disclosed
EP-0801069-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-10-15 EP disclosed
EP-0747383-A2 Polyamine salts of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1996-12-11 EP disclosed
WO-1996022296-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-25 WO disclosed
EP-0672669-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed
EP-0672670-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed