⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL20994813 | 1.00 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL39001 | 1.00 | ALDH1A1 (0.57) | — | |
| SCHEMBL28528043 | 0.97 | ALDH1A1 (0.53) | — | |
| SCHEMBL29849299 | 0.97 | ALDH1A1 (0.53) | — | |
| Dioxane SCHEMBL9469325 | 0.85 | — | — | |
| Dioxane SCHEMBL28084964 | 0.85 | TTR (0.50) | — | |
| Tetrahydrofuran SCHEMBL1614767 | 0.85 | — | — | |
| Methane SCHEMBL28102196 | 0.81 | TSHR (0.46) | — | |
| Oxirane SCHEMBL5690252 | 0.81 | — | — | |
| Oxirane SCHEMBL2594732 | 0.81 | — | — |
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-117343032-A | Method for preparing amide compound based on photocatalytic isocyanate | 中国科学技术大学 | 2024-01-05 | — | — | CN | claimed |
| CN-107597028-B | Reactor and method for preparing isocyanate | 万华化学（宁波）有限公司 | 2020-05-08 | — | — | CN | claimed |
| CN-107597028-A | A kind of reactor and method for preparing isocyanates | 万华化学（宁波）有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-118756499-A | Leather-like sheet and production method thereof | 刘雅文 | 2024-10-11 | — | — | CN | disclosed |
| CN-117343032-A | Method for preparing amide compound based on photocatalytic isocyanate | 中国科学技术大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-117343032-A | Method for preparing amide compound based on photocatalytic isocyanate | 中国科学技术大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-109957969-A | A kind of carbon fiber sizing agent, preparation method, enhancing carbon fiber and carbon fibre composite | 比亚迪股份有限公司 | 2019-07-02 | — | — | CN | disclosed |