⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12986348 | 0.89 | — | — | |
| SCHEMBL12985725 | 0.86 | SMN1; SMN2 (0.54) | — | |
| SCHEMBL12985639 | 0.85 | — | — | |
| SCHEMBL12985762 | 0.83 | — | — | |
| SCHEMBL12986180 | 0.83 | — | — | |
| SCHEMBL13192841 | 0.83 | — | — | |
| SCHEMBL12985807 | 0.82 | SLC6A2 (0.47) | — | |
| SCHEMBL12985593 | 0.81 | — | — | |
| SCHEMBL12985485 | 0.80 | — | — | |
| SCHEMBL12985223 | 0.79 | SLC6A2 (0.45) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2694488-B1 | ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | PFIZER (US) | 2014-11-12 | — | — | EP | claimed |
| US-8748466-B2 | Isoxazole derivatives useful as antibacterial agents | PFIZER INC. (US) | 2014-06-10 | — | — | US | claimed |
| EP-2694488-A1 | ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | Pfizer Inc (US) | 2014-02-12 | — | — | EP | claimed |
| US-20140024690-A1 | Isoxazole Derivatives Useful As Antibacterial Agents | PFIZER INC. (US) | 2014-01-23 | — | — | US | claimed |
| WO-2012137094-A1 | ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | PFIZER INC. (US) | 2012-10-11 | — | — | WO | claimed |
| EP-2694488-B1 | ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | PFIZER (US) | 2014-11-12 | — | — | EP | disclosed |