⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17818287 | 0.85 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL17818298 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL17818240 | 0.79 | — | — | |
| SCHEMBL17818237 | 0.79 | — | — | |
| SCHEMBL19590620 | 0.79 | SLC6A2 (0.31) | — | |
| SCHEMBL17818269 | 0.79 | — | — | |
| SCHEMBL17818286 | 0.79 | — | — | |
| SCHEMBL19832570 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL19590619 | 0.78 | — | — | |
| SCHEMBL17830435 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10029994-B2 | Isoxazole hydroxamic acid compounds as LpxC inhibitors | NOVARTIS AG (CH) | 2018-07-24 | — | — | US | disclosed |
| US-20180030004-A1 | ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2018-02-01 | — | — | US | disclosed |