⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2200197 | 0.66 | LMNA (0.50) | — | |
| SCHEMBL10793901 | 0.66 | — | — | |
| SCHEMBL16167221 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL16388867 | 0.60 | — | — | |
| SCHEMBL6602740 | 0.60 | — | — | |
| SCHEMBL14290156 | 0.60 | NPC1 (0.36) | — | |
| SCHEMBL9363960 | 0.60 | — | — | |
| SCHEMBL375923 | 0.60 | — | — | |
| SCHEMBL14560266 | 0.60 | NPC1 (0.36) | — | |
| SCHEMBL14559407 | 0.60 | NPC1 (0.36) | — |
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-109847806-B | Polyion liquid-cerium oxide catalyst and preparation method and application thereof | 厦门大学 | 2021-01-19 | — | — | CN | disclosed |