⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22050053 | 0.75 | — | — | |
| SCHEMBL13952185 | 0.75 | — | — | |
| Potassium Ion SCHEMBL30016872 | 0.71 | — | — | |
| SCHEMBL18390360 | 0.66 | — | — | |
| SCHEMBL18862747 | 0.65 | — | — | |
| SCHEMBL31699774 | 0.65 | HTR2C (0.31) | — | |
| SCHEMBL26049822 | 0.65 | — | — | |
| SCHEMBL25678530 | 0.65 | — | — | |
| SCHEMBL16984325 | 0.64 | — | — | |
| SCHEMBL8222036 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4323363-A1 | NEW PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS SIGMA LIGANDS | Acondicionamiento Tarrasense (ES) | 2024-02-21 | — | — | EP | disclosed |