⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL285720 | 1.00 | — | — | |
| SCHEMBL28387843 | 0.85 | — | — | |
| SCHEMBL8600060 | 0.83 | CA1 (0.43) | — | |
| SCHEMBL10496302 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL10496299 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL10496296 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL15288442 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL10496304 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL15288444 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL28823662 | 0.81 | CA1 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427457-B1 | ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-07-17 | — | — | EP | disclosed |
| EP-2427457-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127978-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |