⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8596836 | 0.66 | — | — | |
| SCHEMBL8148198 | 0.64 | — | — | |
| SCHEMBL14024079 | 0.63 | NPC1 (0.35) | — | |
| SCHEMBL19872985 | 0.63 | NPC1 (0.35) | — | |
| SCHEMBL2536297 | 0.61 | — | — | |
| SCHEMBL28280261 | 0.60 | — | — | |
| SCHEMBL2533313 | 0.60 | — | — | |
| SCHEMBL3832712 | 0.60 | DPP4 (0.34) | — | |
| SCHEMBL2918826 | 0.59 | — | — | |
| SCHEMBL24127282 | 0.58 | BCHE (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115160305-A | Amide compound containing 4, 5-dihydroisoxazole, salt thereof, preparation method and application | 华东理工大学 | 2022-10-11 | — | — | CN | disclosed |
| EP-1567532-A1 | OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | Astrazeneca AB (SE) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048392-A1 | OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2004-06-10 | — | — | WO | disclosed |