⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14973709 | 0.79 | — | — | |
| SCHEMBL14571076 | 0.76 | MAPT (0.53) | — | |
| Glycerin SCHEMBL8971663 | 0.70 | LMNA (0.41) | — | |
| SCHEMBL736870 | 0.68 | — | — | |
| SCHEMBL30671761 | 0.66 | LMNA (0.41) | — | |
| SCHEMBL29356614 | 0.66 | LMNA (0.41) | — | |
| SCHEMBL16359857 | 0.66 | LMNA (0.41) | — | |
| SCHEMBL30462278 | 0.66 | LMNA (0.41) | — | |
| SCHEMBL18614890 | 0.65 | — | — | |
| SCHEMBL7256962 | 0.64 | — | — |
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-112516129-B | Application of trans-1, 3-dilinolein in preparation of drugs for treating gastric cancer, drugs for invigorating stomach, health products and foods | 兰州大学 | 2022-04-29 | — | — | CN | disclosed |