⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL249488 | 0.78 | — | — | |
| SCHEMBL22638882 | 0.76 | — | — | |
| Fluoride SCHEMBL28445156 | 0.76 | — | — | |
| Oxazole SCHEMBL14 | 0.71 | — | — | |
| Oxazole SCHEMBL29728171 | 0.71 | — | — | |
| Oxazole SCHEMBL1743576 | 0.71 | — | — | |
| Oxazole SCHEMBL9452923 | 0.68 | — | — | |
| Oxazole SCHEMBL986132 | 0.68 | — | — | |
| Oxazole SCHEMBL983076 | 0.68 | — | — | |
| Oxazole SCHEMBL5199619 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114163452-A | Preparation method of 1, 3-oxazine-1, 3-oxazole derivative | 广东医科大学 | 2022-03-11 | — | — | CN | claimed |
| CN-114163452-A | Preparation method of 1, 3-oxazine-1, 3-oxazole derivative | 广东医科大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-114163452-A | Preparation method of 1, 3-oxazine-1, 3-oxazole derivative | 广东医科大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-114163452-A | Preparation method of 1, 3-oxazine-1, 3-oxazole derivative | 广东医科大学 | 2022-03-11 | — | — | CN | disclosed |