⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29713464 | 1.00 | — | — | |
| SCHEMBL28798073 | 1.00 | — | — | |
| SCHEMBL18848950 | 0.87 | — | — | |
| SCHEMBL29713469 | 0.83 | — | — | |
| SCHEMBL21923446 | 0.83 | — | — | |
| SCHEMBL23091181 | 0.83 | — | — | |
| SCHEMBL23091183 | 0.83 | — | — | |
| SCHEMBL21923448 | 0.82 | — | — | |
| SCHEMBL28798072 | 0.77 | P2RX7 (0.31) | — | |
| SCHEMBL29713457 | 0.77 | P2RX7 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109111466-B | Benzisoxazole spiropyrimidine triones compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-08-02 | — | — | CN | disclosed |