⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL515681 | 0.87 | — | — | |
| SCHEMBL28146294 | 0.87 | — | — | |
| SCHEMBL27729026 | 0.75 | — | — | |
| SCHEMBL28110618 | 0.75 | — | — | |
| SCHEMBL28191802 | 0.75 | — | — | |
| SCHEMBL28845530 | 0.75 | — | — | |
| SCHEMBL27688264 | 0.75 | — | — | |
| SCHEMBL30302483 | 0.71 | — | — | |
| SCHEMBL516039 | 0.71 | — | — | |
| SCHEMBL23512 | 0.71 | — | — |
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-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 |