⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1639903 | 0.80 | — | — | |
| SCHEMBL5652011 | 0.77 | — | — | |
| SCHEMBL5652006 | 0.77 | — | — | |
| SCHEMBL22234376 | 0.75 | — | — | |
| SCHEMBL17675661 | 0.74 | — | — | |
| SCHEMBL1753716 | 0.74 | — | — | |
| SCHEMBL6050555 | 0.72 | — | — | |
| SCHEMBL6050553 | 0.72 | — | — | |
| SCHEMBL995320 | 0.71 | CYP1A2 (0.38) | — | |
| SCHEMBL841687 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414354-B1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | HOFFMANN LA ROCHE (CH) | 2012-12-12 | — | — | EP | disclosed |
| EP-2414354-A1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| EP-2414354-A1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112475-A1 | HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |