⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12525768 | 0.83 | SLC6A4 (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL30182604 | 0.83 | ITGB1 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL23830859 | 0.83 | SLC6A2 (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL21590787 | 0.83 | CHRNB2 (0.58) | — | |
| Trifluoroacetic Acid SCHEMBL27137357 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL23830840 | 0.82 | SLC6A2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL21570272 | 0.82 | SLC6A4 (0.47) | — | |
| Hydrochloric Acid SCHEMBL21749902 | 0.82 | SLC6A4 (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL21590922 | 0.81 | SLC6A4 (0.44) | — | |
| SCHEMBL26987858 | 0.80 | SLC6A4 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11840528-B2 | Isoxazolyl ether derivatives as GABAA α5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-12-12 | — | — | US | disclosed |
| EP-3807269-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| US-20210094945-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2021-04-01 | — | — | US | disclosed |
| WO-2019238633-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |