⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6006 | 0.82 | SLC6A2 (0.30) | — | |
| SCHEMBL5538 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28224572 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL16569295 | 0.71 | NOS1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2042522 | 0.71 | — | — | |
| SCHEMBL20025517 | 0.69 | PAOX (0.34) | — | |
| SCHEMBL23199767 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL7773616 | 0.68 | LMNA (0.35) | — | |
| SCHEMBL1780391 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL8098597 | 0.67 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573924-B | Isoxazoline hydroxamic acid derivs as LpxC inhibitor | 诺华股份有限公司 | 2019-06-25 | — | — | CN | disclosed |
| CN-106573924-A | Isoxazoline hydroxamic acid derivatives as LpxC inhibitors | 诺华股份有限公司 | 2017-04-19 | — | — | CN | disclosed |