⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28528215 | 0.88 | — | — | |
| SCHEMBL21590782 | 0.83 | NR1H2 (0.34) | — | |
| SCHEMBL28526691 | 0.81 | — | — | |
| SCHEMBL21590903 | 0.72 | NR1H2 (0.35) | — | |
| SCHEMBL28526732 | 0.72 | CTSK (0.38) | — | |
| SCHEMBL21590750 | 0.71 | NR1H2 (0.36) | — | |
| SCHEMBL28737676 | 0.71 | CTSK (0.37) | — | |
| SCHEMBL28526689 | 0.69 | — | — | |
| SCHEMBL27786750 | 0.68 | CTSK (0.39) | — | |
| SCHEMBL28537659 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |