⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28883336 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL7963685 | 0.65 | NISCH (0.37) | — | |
| SCHEMBL231126 | 0.60 | PARP1 (0.35) | — | |
| SCHEMBL29165481 | 0.59 | PARP1 (0.31) | — | |
| SCHEMBL2175146 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL5629042 | 0.58 | PARP1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6070163 | 0.58 | PARP1 (0.35) | — | |
| SCHEMBL9271325 | 0.58 | PARP1 (0.32) | — | |
| SCHEMBL8804137 | 0.58 | RECQL (0.39) | — | |
| SCHEMBL25671920 | 0.58 | CHRNB2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115335372-B | Octahydropyrazinodiazepine diketoning organisms | 南京明德新药研发有限公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-115335372-B | Octahydropyrazinodiazepine diketoning organisms | 南京明德新药研发有限公司 | 2024-01-12 | — | — | CN | disclosed |