⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL413257 | 0.89 | — | — | |
| SCHEMBL28740715 | 0.85 | — | — | |
| SCHEMBL28025834 | 0.78 | — | — | |
| SCHEMBL7211700 | 0.76 | — | — | |
| Tetrafluoroethylene SCHEMBL2462881 | 0.75 | — | — | |
| Tetrafluoroethylene SCHEMBL1223211 | 0.74 | — | — | |
| Tetrafluoroethylene SCHEMBL28381680 | 0.73 | — | — | |
| SCHEMBL28600 | 0.72 | — | — | |
| SCHEMBL1143791 | 0.72 | — | — | |
| Tetrafluoroethylene SCHEMBL27195665 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113181938-A | Magnetizable yolk shell structure composite nanoparticle loaded metal chloride catalyst and preparation method and application thereof | 大连海事大学 | 2021-07-30 | — | — | CN | claimed |