⚠ 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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL27762206 | 0.88 | ALDH1A1 (0.75) | — | |
| Alcohol SCHEMBL6440068 | 0.88 | — | — | |
| Propionaldehyde SCHEMBL11529495 | 0.88 | — | — | |
| Propionaldehyde SCHEMBL2689195 | 0.85 | — | — | |
| Propionaldehyde SCHEMBL10787498 | 0.85 | — | — | |
| Propionaldehyde SCHEMBL28312820 | 0.84 | — | — | |
| Propionaldehyde SCHEMBL8391627 | 0.84 | — | — | |
| SCHEMBL17668147 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL1332840 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL5310572 | 0.83 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111646880-B | Separation method for preparing glycol product from synthesis gas | 上海浦景化工技术股份有限公司 | 2023-03-28 | — | — | CN | disclosed |