⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1292839 | 1.00 | — | — | |
| SCHEMBL26624597 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL6683349 | 0.79 | — | — | |
| SCHEMBL6683352 | 0.79 | — | — | |
| SCHEMBL13064413 | 0.79 | — | — | |
| SCHEMBL21958194 | 0.77 | — | — | |
| SCHEMBL111264 | 0.76 | PTGS1 (0.50) | — | |
| SCHEMBL16129662 | 0.76 | PTGS1 (0.50) | — | |
| SCHEMBL216276 | 0.75 | — | — | |
| SCHEMBL216275 | 0.75 | — | — |
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 7 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 |
| CN-118076576-A | Process for the production of levulinic acid and derivatives thereof | 安特卫普大学 | 2024-05-24 | — | — | CN | disclosed |
| WO-2021112172-A1 | CLEANING AGENT, AND CLEANING METHOD AND CLEANING DEVICE USING CLEANING AGENT | セントラル硝子株式会社 | 2021-06-10 | — | — | WO | disclosed |
| US-20050227333-A1 | Process for the production of an aromatic amino acid metabolite or derivative thereof | DSM IP ASSETS B.V. (NL) | 2005-10-13 | — | — | US | disclosed |
| EP-0622413-B1 | Polyester films for magnetic recording media | TORAY INDUSTRIES (JP) | 2002-02-27 | — | — | EP | disclosed |
| US-5474854-A | Dustless magnetic films | TORAY INDUSTRIES, INC. (JP) | 1995-12-12 | — | — | US | disclosed |
| EP-0622413-A1 | POLYESTER COMPOSITION AND FILM MADE THEREFROM | TORAY INDUSTRIES, INC. (JP) | 1994-11-02 | — | — | EP | disclosed |