⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4293336 | 0.75 | — | — | |
| SCHEMBL31289319 | 0.75 | — | — | |
| SCHEMBL3105468 | 0.73 | — | — | |
| SCHEMBL3214870 | 0.73 | — | — | |
| SCHEMBL6283190 | 0.71 | — | — | |
| SCHEMBL9338929 | 0.71 | — | — | |
| SCHEMBL28343173 | 0.70 | MAOB (0.34) | — | |
| SCHEMBL8440307 | 0.70 | — | — | |
| SCHEMBL3414986 | 0.70 | — | — | |
| SCHEMBL28407205 | 0.68 | — | — |
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-110590236-B | Rubber modified asphalt mixture, preparation method thereof and pavement structure | 济南市市政工程设计研究院（集团）有限责任公司 | 2022-02-15 | — | — | CN | claimed |
| CN-110590236-A | Rubber modified asphalt mixture, preparation method thereof and pavement structure | 济南市市政工程设计研究院（集团）有限责任公司 | 2019-12-20 | — | — | CN | claimed |
| CN-115772119-B | Synthesis method of N-heterocyclic thioether compound | 信阳师范学院 | 2024-06-07 | — | — | CN | disclosed |
| CN-115772119-A | Synthetic method of N-heterocyclic thioether compound | 信阳师范学院 | 2023-03-10 | — | — | CN | disclosed |
| CN-110590236-B | Rubber modified asphalt mixture, preparation method thereof and pavement structure | 济南市市政工程设计研究院（集团）有限责任公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-110590236-A | Rubber modified asphalt mixture, preparation method thereof and pavement structure | 济南市市政工程设计研究院（集团）有限责任公司 | 2019-12-20 | — | — | CN | disclosed |