⚠ 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 | |
|---|---|---|---|---|
| Levulinic Acid SCHEMBL27931545 | 1.00 | LMNA (1.00) | — | |
| Levulinic Acid SCHEMBL113572 | 1.00 | LMNA (1.00) | — | |
| Levulinic Acid SCHEMBL20868 | 1.00 | — | — | |
| Levulinic Acid SCHEMBL2577171 | 0.97 | — | — | |
| Levulinic Acid SCHEMBL21815654 | 0.97 | — | — | |
| Levulinic Acid SCHEMBL8063365 | 0.97 | LMNA (0.93) | — | |
| Levulinic Acid SCHEMBL21815797 | 0.97 | — | — | |
| Levulinic Acid SCHEMBL21815633 | 0.97 | — | — | |
| Levulinic Acid SCHEMBL10791504 | 0.97 | — | — | |
| Levulinic Acid SCHEMBL8061193 | 0.97 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110256378-B | Preparation method of cellulose aviation oil intermediate | 中国科学院广州能源研究所 | 2023-07-25 | — | — | CN | disclosed |