⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28906689 | 0.87 | — | — | |
| SCHEMBL453717 | 0.82 | — | — | |
| SCHEMBL28516483 | 0.78 | — | — | |
| SCHEMBL30074799 | 0.78 | — | — | |
| SCHEMBL29852296 | 0.78 | ALDH1A1 (0.49) | — | |
| SCHEMBL30074794 | 0.78 | — | — | |
| SCHEMBL305319 | 0.78 | ALDH1A1 (0.49) | — | |
| SCHEMBL7999163 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL17201196 | 0.75 | — | — | |
| SCHEMBL17799 | 0.75 | — | — |
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-112279840-B | Deuterated enaminocarbonyl compound and preparation method and application thereof | 徐州汇川生物科技有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-112279840-A | Deuterated ene ammonia carbonyl compound and preparation method and application thereof | 徐州汇川生物科技有限公司 | 2021-01-29 | — | — | CN | disclosed |