⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460530 | 0.96 | — | — | |
| SCHEMBL28181116 | 0.92 | — | — | |
| SCHEMBL29452748 | 0.72 | — | — | |
| SCHEMBL20562474 | 0.72 | — | — | |
| SCHEMBL5685993 | 0.71 | — | — | |
| SCHEMBL13113895 | 0.70 | — | — | |
| Oxirane SCHEMBL27610113 | 0.67 | — | — | |
| SCHEMBL2326 | 0.65 | — | — | |
| SCHEMBL56545 | 0.65 | — | — | |
| Dioxane SCHEMBL9299344 | 0.61 | TTR (0.55) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104592181-B | 2-fluorine polysubstituted 4H-pyran derivate and preparation method thereof | 华东师范大学 | 2016-08-24 | — | — | CN | disclosed |
| CN-104592181-A | 2-fluoro-polysubstituted-4H-pyran derivatives and preparation method thereof | UNIV EAST CHINA NORMAL | 2015-05-06 | — | — | CN | disclosed |