⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13806344 | 0.67 | — | — | |
| SCHEMBL311626 | 0.64 | — | — | |
| SCHEMBL6683774 | 0.57 | — | — | |
| SCHEMBL11902960 | 0.55 | — | — | |
| SCHEMBL22344816 | 0.54 | — | — | |
| SCHEMBL3656324 | 0.54 | — | — | |
| SCHEMBL12394118 | 0.53 | — | — | |
| SCHEMBL13618063 | 0.53 | — | — | |
| SCHEMBL17923099 | 0.52 | — | — | |
| SCHEMBL8330112 | 0.52 | — | — |
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-115260029-B | Method for producing 2,3, 5-trimethylhydroquinone diester by using bubble column reactor | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-115260029-A | Method for producing 2,3,5-trimethylhydroquinone diester by using bubble column reactor | 万华化学集团股份有限公司 | 2022-11-01 | — | — | CN | disclosed |