⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31652063 | 0.75 | — | — | |
| SCHEMBL9666642 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL22283932 | 0.70 | IDO1 (0.47) | — | |
| SCHEMBL3523197 | 0.69 | ALDH1A1 (0.42) | — | |
| Bromide SCHEMBL9548958 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL29846477 | 0.60 | CDC25B (0.30) | — | |
| SCHEMBL30574445 | 0.60 | CDC25B (0.30) | — | |
| SCHEMBL1324800 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL31005906 | 0.60 | — | — | |
| SCHEMBL13360292 | 0.60 | HSD17B1 (0.36) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113698355-B | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2023-05-26 | — | — | CN | claimed |
| CN-113698355-A | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2021-11-26 | — | — | CN | claimed |
| CN-113698355-B | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-113698355-B | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-113698355-B | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-113698355-A | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-113698355-A | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-113698355-A | Synthesis method of 4, 5-dihydroxypyridazine | 郑州华赞医药科技有限公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-112978709-A | Carbon quantum dot precursor composition, carbon quantum dot and preparation method thereof | 中国科学院大连化学物理研究所 | 2021-06-18 | — | — | CN | disclosed |