⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28625802 | 0.82 | — | — | |
| SCHEMBL28347419 | 0.82 | — | — | |
| SCHEMBL30522790 | 0.82 | — | — | |
| SCHEMBL771067 | 0.82 | — | — | |
| SCHEMBL1841058 | 0.82 | — | — | |
| SCHEMBL29365062 | 0.82 | — | — | |
| SCHEMBL28724665 | 0.82 | — | — | |
| SCHEMBL31338892 | 0.82 | — | — | |
| SCHEMBL1841054 | 0.82 | — | — | |
| SCHEMBL5301504 | 0.82 | — | — |
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-110176588-A | The Preparation Method of electrode material | 中国科学院重庆绿色智能技术研究院 | 2019-08-27 | — | — | CN | disclosed |
| CN-108963194-A | A kind of silicon based composite material and its preparation method and application | 中国科学院物理研究所 | 2018-12-07 | — | — | CN | disclosed |
| CN-108277319-A | Control method for nitrogen content of niobium-containing steel | 鞍钢股份有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-104498816-B | Grey cast iron with excellent cutting property and production method thereof | 河北兴盛机械有限公司 | 2017-01-25 | — | — | CN | disclosed |