⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30163684 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL21590507 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL17255283 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL20241328 | 0.72 | — | — | |
| Trifluoroacetic Acid SCHEMBL31579729 | 0.71 | SLC6A2 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL25302794 | 0.70 | — | — | |
| SCHEMBL31751849 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL31439473 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL21590934 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL21590703 | 0.68 | — | — |
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 |