⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8510286 | 0.82 | — | — | |
| SCHEMBL11026714 | 0.82 | — | — | |
| SCHEMBL4954754 | 0.82 | — | — | |
| SCHEMBL8912718 | 0.82 | — | — | |
| SCHEMBL4574627 | 0.82 | — | — | |
| SCHEMBL29366439 | 0.82 | — | — | |
| SCHEMBL4949858 | 0.82 | — | — | |
| SCHEMBL151515 | 0.82 | — | — | |
| SCHEMBL25299932 | 0.67 | — | — | |
| SCHEMBL7456241 | 0.67 | — | — |
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-114835758-B | Nitrogen-containing heterocyclic phosphine palladium sulfonate catalyst, ligand and application thereof | 中国科学技术大学 | 2024-02-23 | — | — | CN | disclosed |
| CN-114835758-A | Nitrogen-containing heterocyclic phosphine palladium sulfonate catalyst and ligand and application thereof | 中国科学技术大学 | 2022-08-02 | — | — | CN | disclosed |