⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9122750 | 0.83 | — | — | |
| SCHEMBL9127572 | 0.82 | PNP (0.37) | — | |
| SCHEMBL6992857 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL9125548 | 0.66 | — | — | |
| SCHEMBL9575551 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL6988670 | 0.65 | TKT (0.31) | — | |
| SCHEMBL9019744 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL9845287 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL9845279 | 0.61 | MEN1 (0.39) | — | |
| SCHEMBL9019773 | 0.60 | PDE3A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5457091-A | N1-substituted 1H-1,2,3-triazolo[4,5,-D]pyrimidines, a process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-10-10 | — | — | US | disclosed |
| EP-0589335-A1 | N1-Substituted- (1H)-1,2,3-Triazolo (4,5-d) pyrimidines, process for their preparation and their use as antiviral means | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-03-30 | — | — | EP | disclosed |