⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6138484 | 0.93 | — | — | |
| SCHEMBL7519125 | 0.73 | — | — | |
| SCHEMBL195729 | 0.73 | — | — | |
| SCHEMBL7518104 | 0.73 | — | — | |
| SCHEMBL1527654 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL196713 | 0.72 | — | — | |
| SCHEMBL17751175 | 0.69 | — | — | |
| SCHEMBL2742888 | 0.69 | — | — | |
| SCHEMBL5482009 | 0.69 | — | — | |
| SCHEMBL12778560 | 0.69 | — | — |
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-116272944-A | Hydrotalcite-based strong-alkalinity solid catalyst and method for catalyzing alcohol propionitrile alkylation by using same | 常州大学 | 2023-06-23 | — | — | CN | disclosed |