⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9494577 | 0.75 | — | — | |
| SCHEMBL805272 | 0.75 | — | — | |
| SCHEMBL1695072 | 0.72 | — | — | |
| SCHEMBL21816671 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL19924972 | 0.72 | — | — | |
| SCHEMBL23829817 | 0.72 | — | — | |
| SCHEMBL18098640 | 0.72 | — | — | |
| SCHEMBL10170029 | 0.72 | — | — | |
| SCHEMBL11465803 | 0.72 | — | — | |
| Iodide SCHEMBL30228816 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929569-A | Monofluoro iodoacetone compound and preparation method and application thereof | 上海应用技术大学 | 2022-01-14 | — | — | CN | claimed |
| CN-113929569-A | Monofluoro iodoacetone compound and preparation method and application thereof | 上海应用技术大学 | 2022-01-14 | — | — | CN | disclosed |