⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1147882 | 0.72 | — | — | |
| SCHEMBL4463578 | 0.67 | — | — | |
| SCHEMBL216058 | 0.67 | — | — | |
| SCHEMBL225112 | 0.64 | — | — | |
| SCHEMBL640341 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL3410123 | 0.55 | — | — | |
| SCHEMBL5712779 | 0.53 | STAT3 (0.37) | — | |
| SCHEMBL2140005 | 0.50 | — | — | |
| SCHEMBL5712776 | 0.49 | ALOX5 (0.31) | — | |
| SCHEMBL18022809 | 0.49 | GSTP1 (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100081650-A1 | Antimicrobial Compounds | AXTEN JEFFREY MICHAEL | 2010-04-01 | — | — | US | disclosed |
| US-7622481-B2 | Antibacterial compounds | GLAXO GROUP LIMITED (GB) | 2009-11-24 | — | — | US | disclosed |
| EP-1537123-B1 | AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS | GLAXO GROUP LTD (GB) | 2009-04-29 | — | — | EP | disclosed |
| EP-1399443-B1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2007-12-12 | — | — | EP | disclosed |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. | 2007-06-14 | — | — | US | disclosed |
| US-7141564-B2 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2006-11-28 | — | — | US | disclosed |
| US-20060189604-A1 | Compounds | GLAXO GROUP LIMITED (GB) | 2006-08-24 | — | — | US | disclosed |
| EP-1537123-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2005-06-08 | — | — | EP | disclosed |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-09-02 | — | — | US | disclosed |
| EP-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2004002992-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2004-01-08 | — | — | WO | disclosed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | WO | disclosed |