⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9878020 | 0.82 | SCN9A (0.53) | — | |
| SCHEMBL690670 | 0.78 | — | — | |
| SCHEMBL8329395 | 0.75 | XIAP (0.47) | — | |
| SCHEMBL64599 | 0.74 | — | — | |
| SCHEMBL30402589 | 0.73 | — | — | |
| SCHEMBL2007460 | 0.73 | — | — | |
| SCHEMBL2570548 | 0.73 | — | — | |
| SCHEMBL156517 | 0.73 | — | — | |
| SCHEMBL30754820 | 0.73 | — | — | |
| SCHEMBL31440154 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017046318-A1 | TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-23 | — | — | WO | disclosed |
| US-20170081323-A1 | Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease | HOFFMANN LA ROCHE (CH) | 2017-03-23 | — | — | US | disclosed |
| US-20170081323-A1 | Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease | HOFFMANN LA ROCHE (CH) | 2017-03-23 | — | — | US | disclosed |