⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2045443 | 0.79 | — | — | |
| SCHEMBL8512616 | 0.78 | — | — | |
| SCHEMBL3891259 | 0.76 | — | — | |
| SCHEMBL304826 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL28405853 | 0.74 | — | — | |
| SCHEMBL5826744 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL28402197 | 0.74 | — | — | |
| SCHEMBL26087483 | 0.74 | — | — | |
| SCHEMBL2870652 | 0.74 | — | — | |
| SCHEMBL82509 | 0.73 | — | — |
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-106795174-B | Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof | 扬州蓝色生物医药科技有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-109071483-B | Penicilones derivatives and application thereof as drug-resistant bacteria resistant drugs | 扬州蓝色生物医药科技有限公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-106795174-B | Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof | 扬州蓝色生物医药科技有限公司 | 2020-04-28 | — | — | CN | disclosed |