⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28010659 | 0.77 | SLC6A4 (0.33) | — | |
| SCHEMBL10828416 | 0.73 | — | — | |
| SCHEMBL6843844 | 0.72 | — | — | |
| SCHEMBL2502222 | 0.68 | NR5A2 (0.37) | — | |
| SCHEMBL911582 | 0.67 | SLC6A3 (0.33) | — | |
| SCHEMBL28396629 | 0.67 | — | — | |
| SCHEMBL9152767 | 0.66 | SLC6A3 (0.38) | — | |
| SCHEMBL5516435 | 0.64 | — | — | |
| SCHEMBL15512931 | 0.63 | MEN1 (0.38) | — | |
| SCHEMBL16052969 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190194213-A1 | NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION | Université de Liège (BE) | 2019-06-27 | — | — | US | claimed |
| CN-109689061-B | Novel use of triazolo (4, 5-d) pyrimidine derivatives for the prevention and treatment of bacterial infections | 列日大学 | 2023-03-31 | — | — | CN | disclosed |
| US-20190194213-A1 | NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION | Université de Liège (BE) | 2019-06-27 | — | — | US | disclosed |