⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29885950 | 0.75 | — | — | |
| SCHEMBL31611874 | 0.75 | — | — | |
| SCHEMBL28830794 | 0.74 | — | — | |
| SCHEMBL6726425 | 0.73 | — | — | |
| SCHEMBL935796 | 0.64 | — | — | |
| SCHEMBL6453831 | 0.61 | GAA (0.33) | — | |
| SCHEMBL6453825 | 0.61 | GAA (0.33) | — | |
| SCHEMBL6027845 | 0.59 | — | — | |
| SCHEMBL3884355 | 0.59 | — | — | |
| SCHEMBL28908630 | 0.59 | — | — |
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-118284606-A | Bicyclic amine derivatives as GABAA α5 receptor modulators | 吉瑞工厂 | 2024-07-02 | — | — | CN | disclosed |