⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16644637 | 0.77 | — | — | |
| SCHEMBL24025321 | 0.75 | — | — | |
| SCHEMBL28469850 | 0.73 | — | — | |
| SCHEMBL18033362 | 0.71 | — | — | |
| SCHEMBL2178063 | 0.71 | — | — | |
| SCHEMBL28469042 | 0.71 | — | — | |
| SCHEMBL1810721 | 0.71 | — | — | |
| SCHEMBL1971441 | 0.70 | — | — | |
| SCHEMBL24300098 | 0.70 | — | — | |
| Favipiravir SCHEMBL587913 | 0.70 | LCK (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113106130-B | Application of nitrile hydratase derived from staphylococcus aggregatus in preparation of amide pyrazine compounds | 核芯生物医药科技(杭州)有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-113025671-B | Application of nitrile hydratase derived from sinorhizobium meliloti in preparation of amide pyrazine compounds | 浙江恒康药业股份有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-113106130-A | Application of nitrile hydratase derived from staphylococcus aggregatus in preparation of amide pyrazine compounds | 浙江恒康药业股份有限公司 | 2021-07-13 | — | — | CN | disclosed |
| CN-113025671-A | Application of nitrile hydratase derived from sinorhizobium meliloti in preparation of amide pyrazine compounds | 浙江恒康药业股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-111662938-B | Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound | 浙江恒康药业股份有限公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-111662938-A | Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound | 浙江恒康药业股份有限公司 | 2020-09-15 | — | — | CN | disclosed |