⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6195711 | 0.75 | CDK4 (0.30) | — | |
| SCHEMBL4438575 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL3345273 | 0.71 | — | — | |
| SCHEMBL4775805 | 0.68 | — | — | |
| SCHEMBL6643762 | 0.64 | — | — | |
| SCHEMBL6650441 | 0.64 | — | — | |
| SCHEMBL6197551 | 0.64 | — | — | |
| SCHEMBL4441999 | 0.63 | GRM5 (0.36) | — | |
| SCHEMBL7015461 | 0.62 | — | — | |
| SCHEMBL28019988 | 0.60 | ALDH1A1 (0.35) | — |
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-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | WO | disclosed |