⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3239687 | 0.75 | — | — | |
| SCHEMBL3934072 | 0.70 | — | — | |
| SCHEMBL5081060 | 0.70 | — | — | |
| SCHEMBL28309527 | 0.70 | — | — | |
| SCHEMBL27977646 | 0.70 | — | — | |
| SCHEMBL11707680 | 0.70 | — | — | |
| SCHEMBL19491720 | 0.70 | — | — | |
| SCHEMBL27431673 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL27592302 | 0.67 | PARP1 (0.36) | — | |
| SCHEMBL3397631 | 0.67 | SLC6A2 (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106117193-B | New Hete rocyclic derivatives and its application in neurogenic disease treatment | 诺华股份有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-106518759-B | The method for being used to prepare [(3- pyridone -2- carbonyl) amino] alkanoic acid, ester and amide | 阿克比治疗有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-106795177-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-109071561-A | Thienopyrazine formamide as ubiquitin-specific protease inhibitor | 福马治疗股份有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-107793417-A | Pyrrolo- [2,3 d] pyrimidines and its salt, and preparation method and pharmaceutical usage | 复旦大学 | 2018-03-13 | — | — | CN | disclosed |
| CN-101365454-B | substituted 4-amino-pyrrolotriazine derivatives | BAYER HEALTHCARE LLC (US) | 2016-03-30 | — | — | CN | disclosed |
| CN-101365454-A | Substituted 4-amino-pyrrolotriazine derivatives for the treatment of hyperproliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2009-02-11 | — | — | CN | disclosed |