⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23800 | 0.96 | — | — | |
| SCHEMBL27906956 | 0.96 | ALDH1A1 (0.30) | — | |
| SCHEMBL10984144 | 0.96 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL10813195 | 0.93 | — | — | |
| SCHEMBL9403020 | 0.93 | — | — | |
| SCHEMBL25342201 | 0.93 | — | — | |
| Rubidium SCHEMBL4814586 | 0.93 | — | — | |
| SCHEMBL25342199 | 0.93 | — | — | |
| SCHEMBL8598429 | 0.93 | — | — | |
| SCHEMBL4806676 | 0.93 | — | — |
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-112536038-B | Alpha, beta-unsaturated aldehyde selective hydrogenation conversion catalyst, and preparation method and application thereof | 东南大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-112536038-A | Alpha, beta-unsaturated aldehyde selective hydrogenation conversion catalyst, and preparation method and application thereof | 东南大学 | 2021-03-23 | — | — | CN | disclosed |