⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21935859 | 0.79 | — | — | |
| SCHEMBL18786026 | 0.65 | NOS1 (0.30) | — | |
| SCHEMBL16116355 | 0.64 | — | — | |
| SCHEMBL23284820 | 0.64 | — | — | |
| SCHEMBL16116357 | 0.64 | — | — | |
| SCHEMBL13854508 | 0.64 | — | — | |
| SCHEMBL24373091 | 0.63 | — | — | |
| SCHEMBL16383765 | 0.62 | — | — | |
| SCHEMBL23590484 | 0.62 | — | — | |
| SCHEMBL19738812 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3870573-B1 | FUNCTIONALIZED AMINOTRIAZINES | LEADXPRO AG (CH) | 2023-08-02 | — | — | EP | disclosed |
| WO-2020083957-A1 | FUNCTIONALIZED AMINOTRIAZINES | LEADXPRO AG (CH) | 2020-04-30 | — | — | WO | disclosed |