⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26231982 | 0.77 | — | — | |
| SCHEMBL22954150 | 0.77 | — | — | |
| SCHEMBL10416584 | 0.77 | — | — | |
| SCHEMBL19383182 | 0.73 | — | — | |
| SCHEMBL16922203 | 0.73 | — | — | |
| SCHEMBL7770031 | 0.73 | — | — | |
| SCHEMBL5701310 | 0.72 | — | — | |
| SCHEMBL14189555 | 0.69 | — | — | |
| SCHEMBL17165771 | 0.69 | — | — | |
| SCHEMBL5011479 | 0.69 | — | — |
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-115109006-A | 3-substituted-1, 2-benzoxazine-4-ketone compound and preparation method thereof | 上海大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-114787136-A | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-07-22 | — | — | CN | disclosed |
| WO-2010135360-A1 | ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE | INFINITY PHARMACEUTICALS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |