⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19641429 | 0.70 | — | — | |
| SCHEMBL435056 | 0.60 | — | — | |
| SCHEMBL17515217 | 0.58 | — | — | |
| SCHEMBL17781248 | 0.49 | — | — | |
| SCHEMBL3727103 | 0.47 | — | — | |
| SCHEMBL21061483 | 0.43 | — | — | |
| SCHEMBL12274678 | 0.40 | — | — | |
| SCHEMBL11183863 | 0.40 | MEN1 (0.39) | — | |
| SCHEMBL31589002 | 0.40 | ESR1 (0.33) | — | |
| SCHEMBL4298217 | 0.39 | POLB (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3182973-A1 | TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-06-28 | — | — | EP | disclosed |
| WO-2016027249-A1 | TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-02-25 | — | — | WO | disclosed |
| EP-2137196-A1 | TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS | Glaxo Group Limited (GB) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008128942-A1 | TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2008-10-30 | — | — | WO | disclosed |