⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17818249 | 1.00 | — | — | |
| SCHEMBL17818349 | 1.00 | — | — | |
| SCHEMBL17818250 | 1.00 | — | — | |
| SCHEMBL17818348 | 1.00 | — | — | |
| SCHEMBL17818335 | 0.89 | — | — | |
| SCHEMBL17818337 | 0.89 | — | — | |
| SCHEMBL17818325 | 0.89 | — | — | |
| SCHEMBL17818300 | 0.87 | — | — | |
| SCHEMBL17818288 | 0.86 | — | — | |
| SCHEMBL17818279 | 0.86 | SLC6A2 (0.51) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233843-B1 | ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS | NOVARTIS AG (CH) | 2019-10-16 | — | — | EP | claimed |