⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30111798 | 1.00 | — | — | |
| SCHEMBL24034604 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL30111789 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL29922645 | 0.78 | CCR1 (0.44) | — | |
| SCHEMBL19736531 | 0.76 | ABCC3 (0.33) | — | |
| SCHEMBL23856143 | 0.75 | PDE10A (0.35) | — | |
| SCHEMBL30111771 | 0.75 | — | — | |
| SCHEMBL19715542 | 0.74 | LPAR1 (0.36) | — | |
| SCHEMBL2689815 | 0.74 | TRPV3 (0.36) | — | |
| SCHEMBL2687247 | 0.71 | SMN1; SMN2 (0.45) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4149933-B1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN LA ROCHE (CH) | 2024-06-12 | — | — | EP | disclosed |
| US-20230135093-A1 | TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-05-04 | — | — | US | disclosed |
| US-20230135093-A1 | TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-05-04 | — | — | US | disclosed |
| US-20230135093-A1 | TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-05-04 | — | — | US | disclosed |
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |
| WO-2021228795-A1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2021-11-18 | — | — | WO | disclosed |