⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19590619 | 1.00 | — | — | |
| SCHEMBL19590567 | 0.88 | SLC6A2 (0.32) | — | |
| SCHEMBL17830436 | 0.88 | SLC6A2 (0.32) | — | |
| SCHEMBL21468650 | 0.88 | — | — | |
| SCHEMBL17818272 | 0.87 | — | — | |
| SCHEMBL17818274 | 0.87 | — | — | |
| SCHEMBL17830439 | 0.87 | SLC6A2 (0.31) | — | |
| SCHEMBL19590620 | 0.87 | SLC6A2 (0.31) | — | |
| SCHEMBL19832570 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL17830437 | 0.85 | SLC6A2 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170088525-A1 | ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2017-03-30 | — | — | US | disclosed |
| US-20170088525-A1 | ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2017-03-30 | — | — | US | disclosed |
| US-9549916-B2 | Isoxazole hydroxamic acid compounds as LpxC inhibitors | NOVARTIS AG (CH) | 2017-01-24 | — | — | US | disclosed |
| US-9549916-B2 | Isoxazole hydroxamic acid compounds as LpxC inhibitors | NOVARTIS AG (CH) | 2017-01-24 | — | — | US | disclosed |
| US-20160166548-A1 | ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS | NOVARTIS AG (CH) | 2016-06-16 | — | — | US | disclosed |