⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL221632 | 0.87 | — | — | |
| SCHEMBL27895706 | 0.87 | — | — | |
| SCHEMBL28674824 | 0.87 | — | — | |
| SCHEMBL15688255 | 0.87 | — | — | |
| SCHEMBL20702030 | 0.87 | — | — | |
| SCHEMBL23199771 | 0.87 | — | — | |
| SCHEMBL28073358 | 0.87 | — | — | |
| SCHEMBL19987845 | 0.87 | — | — | |
| SCHEMBL5409594 | 0.75 | — | — | |
| SCHEMBL386622 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118059878-A | Reaction vanadium-based catalyst for synthesizing vanillin by catalytic oxidation of 4-methyl phenol, preparation method and manufacturing method of vanillin | 中国科学院大连化学物理研究所 | 2024-05-24 | — | — | CN | disclosed |
| CN-118045584-A | Manganese-based catalyst for preparing carboxylic ester by oxidative esterification of unsaturated aldehyde, preparation method and production method of carboxylic ester | 中国科学院大连化学物理研究所 | 2024-05-17 | — | — | CN | disclosed |