⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4441998 | 0.58 | — | — | |
| SCHEMBL19641429 | 0.57 | — | — | |
| SCHEMBL15510742 | 0.41 | — | — | |
| SCHEMBL3387 | 0.36 | — | — | |
| SCHEMBL8802218 | 0.34 | — | — | |
| SCHEMBL16569192 | 0.34 | — | — | |
| SCHEMBL6998282 | 0.34 | — | — | |
| Oxirane SCHEMBL2394418 | 0.33 | — | — | |
| Ammonia Solution, Strong SCHEMBL3314504 | 0.31 | — | — | |
| Dioxane SCHEMBL30420031 | 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 2 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 |