⚠ 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 | |
|---|---|---|---|---|
| Methyl Sorbate SCHEMBL166360 | 1.00 | — | — | |
| Methyl Sorbate SCHEMBL166359 | 1.00 | — | — | |
| Methyl Sorbate SCHEMBL821207 | 1.00 | — | — | |
| Methyl Sorbate SCHEMBL14764128 | 1.00 | NFE2L2 (0.60) | — | |
| Methyl Sorbate SCHEMBL821214 | 1.00 | — | — | |
| Methyl Sorbate SCHEMBL7260200 | 0.97 | NFE2L2 (0.57) | — | |
| Methyl Sorbate SCHEMBL7260192 | 0.97 | NFE2L2 (0.57) | — | |
| SCHEMBL28552613 | 0.97 | NFE2L2 (0.57) | — | |
| Methyl Sorbate SCHEMBL7015053 | 0.93 | NFE2L2 (0.52) | — | |
| Methyl Sorbate SCHEMBL1408906 | 0.89 | NFE2L2 (0.48) | — |
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-122036492-A | Process for the production of levulinic acid and derivatives thereof | 安特卫普大学 | 2026-05-15 | — | — | CN | disclosed |
| US-20230139593-A1 | TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2023-05-04 | — | — | US | disclosed |