⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423208 | 0.97 | — | — | |
| SCHEMBL8768981 | 0.90 | — | — | |
| SCHEMBL4265048 | 0.86 | — | — | |
| SCHEMBL4758776 | 0.81 | — | — | |
| SCHEMBL1050079 | 0.81 | — | — | |
| SCHEMBL10925531 | 0.81 | — | — | |
| SCHEMBL28156524 | 0.81 | — | — | |
| SCHEMBL31477856 | 0.79 | — | — | |
| SCHEMBL19582475 | 0.79 | — | — | |
| SCHEMBL31300447 | 0.79 | — | — |
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-113072448-A | Aryl gemfibrozil derivative high-valence iodine compound and preparation method thereof | 五邑大学 | 2021-07-06 | — | — | CN | claimed |