⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL766184 | 0.82 | — | — | |
| SCHEMBL4601002 | 0.82 | — | — | |
| SCHEMBL27924953 | 0.82 | — | — | |
| SCHEMBL409361 | 0.82 | — | — | |
| SCHEMBL109901 | 0.82 | — | — | |
| SCHEMBL35210155 | 0.82 | — | — | |
| SCHEMBL7617706 | 0.67 | — | — | |
| SCHEMBL6300021 | 0.67 | — | — | |
| SCHEMBL4989983 | 0.67 | — | — | |
| SCHEMBL21630448 | 0.67 | — | — |
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-112309607-B | Slurry composition based on multiple subgroup elements and preparation method and application thereof | 湖北中烟工业有限责任公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-112309607-A | Slurry composition based on multiple subgroup elements and preparation method and application thereof | 湖北中烟工业有限责任公司 | 2021-02-02 | — | — | CN | disclosed |