⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13245549 | 0.92 | EPHX2 (0.39) | — | |
| SCHEMBL3002258 | 0.83 | — | — | |
| SCHEMBL403761 | 0.83 | — | — | |
| SCHEMBL1105503 | 0.83 | — | — | |
| SCHEMBL13654199 | 0.83 | — | — | |
| SCHEMBL3007920 | 0.83 | — | — | |
| SCHEMBL13245538 | 0.82 | TAS1R3 (0.45) | — | |
| SCHEMBL13245592 | 0.81 | — | — | |
| SCHEMBL13245014 | 0.81 | — | — | |
| SCHEMBL13984752 | 0.79 | PDE4A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170814-B1 | ANTIBACTERIAL AGENTS | ACHAOGEN INC (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2008154642-A2 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. (US) | 2008-12-18 | — | — | WO | disclosed |