⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21593134 | 0.87 | HTR2A (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL21590884 | 0.86 | SLC6A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL22530241 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL28029557 | 0.80 | SLC6A2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL609719 | 0.79 | DPP4 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL28906181 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL932729 | 0.76 | CHRNB2 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL3338487 | 0.73 | SLC6A4 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3338497 | 0.73 | SLC6A4 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL435875 | 0.73 | CHRM2 (0.35) | — |
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 5 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 |
| CN-112424196-A | Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2019238633-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |