⚠ 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 | |
|---|---|---|---|---|
| Dihydroxyacetone SCHEMBL70 | 0.91 | — | — | |
| Dihydroxyacetone SCHEMBL2555249 | 0.91 | OR51E2 (0.40) | — | |
| Dihydroxyacetone SCHEMBL28214102 | 0.87 | — | — | |
| Dihydroxyacetone SCHEMBL5542140 | 0.87 | LMNA (0.50) | — | |
| Dihydroxyacetone SCHEMBL290385 | 0.86 | — | — | |
| Dihydroxyacetone SCHEMBL29350199 | 0.86 | — | — | |
| Dihydroxyacetone SCHEMBL28114031 | 0.86 | — | — | |
| Dihydroxyacetone SCHEMBL8046819 | 0.84 | FFAR3 (0.54) | — | |
| Dihydroxyacetone SCHEMBL5370019 | 0.84 | — | — | |
| Dihydroxyacetone SCHEMBL6572373 | 0.84 | FFAR3 (0.54) | — |
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-113493373-B | Process for preparing methylglyoxal acetal | 中国石油大学(华东) | 2024-04-12 | — | — | CN | disclosed |
| CN-113493373-A | Process for producing acetoaldehyde diol | 中国石油大学(华东) | 2021-10-12 | — | — | CN | disclosed |