⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2106849 | 0.83 | MEN1 (0.38) | — | |
| SCHEMBL16907298 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL9360976 | 0.80 | LMNA (0.44) | — | |
| SCHEMBL10396862 | 0.80 | MCL1 (0.37) | — | |
| SCHEMBL28994636 | 0.80 | — | — | |
| SCHEMBL28639405 | 0.80 | — | — | |
| SCHEMBL29107167 | 0.79 | LMNA (0.53) | — | |
| SCHEMBL18671082 | 0.79 | MEN1 (0.36) | — | |
| SCHEMBL6379692 | 0.79 | — | — | |
| SCHEMBL5410047 | 0.78 | MGAM (0.44) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114191460-A | Extraction method for extracting Compositae medicinal components with ionic liquid | 四川大学 | 2022-03-18 | — | — | CN | claimed |
| CN-110092738-A | The preparation method of vildagliptin | 深圳市第二人民医院 | 2019-08-06 | — | — | CN | claimed |
| CN-109761876-A | The preparation method for treating the drug saxagliptin of diabetes | 深圳市第二人民医院 | 2019-05-17 | — | — | CN | claimed |
| CN-114573815-B | Quick-crosslinking-curing MQ type silicon resin and preparation method and application thereof | 杭州师范大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-110092738-A | The preparation method of vildagliptin | 深圳市第二人民医院 | 2019-08-06 | — | — | CN | disclosed |
| CN-110092738-A | The preparation method of vildagliptin | 深圳市第二人民医院 | 2019-08-06 | — | — | CN | disclosed |
| CN-109761876-A | The preparation method for treating the drug saxagliptin of diabetes | 深圳市第二人民医院 | 2019-05-17 | — | — | CN | disclosed |
| CN-109761876-A | The preparation method for treating the drug saxagliptin of diabetes | 深圳市第二人民医院 | 2019-05-17 | — | — | CN | disclosed |