⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL495780 | 0.76 | — | — | |
| Water SCHEMBL28855897 | 0.68 | — | — | |
| Water SCHEMBL29797898 | 0.68 | — | — | |
| Water SCHEMBL28587957 | 0.68 | — | — | |
| Magnesium SCHEMBL31150183 | 0.68 | — | — | |
| Methane SCHEMBL25414241 | 0.68 | — | — | |
| Chlorolithium SCHEMBL2721849 | 0.66 | — | — | |
| Chlorolithium SCHEMBL20522788 | 0.66 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL21683277 | 0.62 | — | — | |
| SCHEMBL2937442 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112062697-A | M-benzene polyphenol derivative and preparation method thereof | 上海特化医药科技有限公司 | 2020-12-11 | — | — | CN | claimed |
| CN-112062697-B | Meta-benzene polyphenol derivative and preparation method thereof | 上海特化医药科技有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-112062697-A | M-benzene polyphenol derivative and preparation method thereof | 上海特化医药科技有限公司 | 2020-12-11 | — | — | CN | disclosed |
| CN-109970681-A | A kind of synthetic method of Repaglinide | 安徽海康药业有限责任公司 | 2019-07-05 | — | — | CN | disclosed |