⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4559241 | 0.84 | — | — | |
| SCHEMBL27883711 | 0.72 | — | — | |
| SCHEMBL13399574 | 0.72 | — | — | |
| SCHEMBL3628169 | 0.72 | — | — | |
| SCHEMBL1253003 | 0.62 | — | — | |
| SCHEMBL28964431 | 0.61 | — | — | |
| SCHEMBL28964433 | 0.61 | — | — | |
| SCHEMBL3068640 | 0.59 | — | — | |
| SCHEMBL5899078 | 0.58 | — | — | |
| SCHEMBL10497359 | 0.56 | — | — |
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-108187682-B | Solid base catalyst for synthesizing 4-hydroxybutyl vinyl ether and preparation method and application thereof | 山西大学 | 2020-01-03 | — | — | CN | disclosed |