⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL222490 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6632772 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8465762 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL5197777 | 0.92 | — | — | |
| SCHEMBL27789289 | 0.92 | — | — | |
| Hydrazine SCHEMBL8839038 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29406158 | 0.89 | — | — | |
| SCHEMBL31675928 | 0.79 | — | — | |
| SCHEMBL29993421 | 0.79 | — | — | |
| SCHEMBL31675861 | 0.79 | — | — |
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-114653344-B | Triazole gel material, preparation method thereof and application thereof in adsorbing organic pollutants | 中山大学 | 2024-01-09 | — | — | CN | disclosed |