⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21653879 | 0.90 | — | — | |
| SCHEMBL29438164 | 0.89 | — | — | |
| SCHEMBL22714342 | 0.89 | — | — | |
| SCHEMBL26248116 | 0.85 | CA1 (0.33) | — | |
| SCHEMBL26041116 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL21653880 | 0.82 | BCAT1 (0.40) | — | |
| SCHEMBL22714398 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL21653881 | 0.78 | — | — | |
| SCHEMBL21653846 | 0.76 | — | — | |
| SCHEMBL22732465 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230265084-A1 | METHOD FOR PREPARING INTERMEDIATE OF URACIL COMPOUND CONTAINING ISOXAZOLINE | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2023-08-24 | — | — | US | disclosed |