⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4412359 | 0.71 | — | — | |
| SCHEMBL2465775 | 0.71 | — | — | |
| SCHEMBL2465778 | 0.71 | — | — | |
| SCHEMBL264819 | 0.69 | — | — | |
| SCHEMBL9507174 | 0.69 | — | — | |
| SCHEMBL28481241 | 0.69 | — | — | |
| SCHEMBL5288520 | 0.69 | — | — | |
| SCHEMBL6355268 | 0.67 | — | — | |
| SCHEMBL8014463 | 0.67 | — | — | |
| SCHEMBL7405294 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102414203-B | Isoxazole-pyridine derivatives as GABA modulators | HOFFMANN LA ROCHE | 2014-11-26 | — | — | CN | disclosed |
| CN-102414203-A | Isoxazole-pyridine derivatives useful as GABA modulators | HOFFMANN LA ROCHE | 2012-04-11 | — | — | CN | disclosed |