⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13641574 | 0.79 | CHRM2 (0.33) | — | |
| SCHEMBL5064655 | 0.76 | CHRM2 (0.31) | — | |
| SCHEMBL28074180 | 0.72 | — | — | |
| SCHEMBL869807 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL11525387 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL28328595 | 0.71 | — | — | |
| SCHEMBL8634219 | 0.71 | — | — | |
| SCHEMBL28289855 | 0.70 | — | — | |
| SCHEMBL28116880 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL10455008 | 0.69 | — | — |
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 3 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 | disclosed |
| US-8748466-B2 | Isoxazole derivatives useful as antibacterial agents | PFIZER INC. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20140024690-A1 | Isoxazole Derivatives Useful As Antibacterial Agents | PFIZER INC. (US) | 2014-01-23 | — | — | US | disclosed |