⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3390865 | 0.82 | — | — | |
| SCHEMBL28310816 | 0.72 | — | — | |
| SCHEMBL2704498 | 0.68 | ATM (0.31) | — | |
| SCHEMBL28844970 | 0.67 | SLC6A3 (0.44) | — | |
| SCHEMBL5226088 | 0.64 | HTR2A (0.31) | — | |
| SCHEMBL27678892 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL27930049 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL27780419 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL27774080 | 0.63 | LTA4H (0.35) | — | |
| SCHEMBL27880307 | 0.61 | — | — |
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-106631992-A | Synthesis method of 4-oxy-3,4-dihydro-2H-pyridine-1-tert-butyl formate | 桑迪亚医药技术（上海）有限责任公司 | 2017-05-10 | — | — | CN | claimed |
| CN-106631992-B | A kind of synthetic method of 4- oxygen -3,4- dihydro -2H- pyridine -1- t-butyl formate | 桑迪亚医药技术（上海）有限责任公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-104650049-B | Substituted pyridine compounds and its application method and purposes | 广东东阳光药业有限公司 | 2018-06-08 | — | — | CN | disclosed |