⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29102789 | 0.70 | — | — | |
| SCHEMBL24641125 | 0.67 | — | — | |
| SCHEMBL8448203 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL5043795 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL8023847 | 0.62 | — | — | |
| SCHEMBL8447547 | 0.61 | — | — | |
| SCHEMBL533556 | 0.59 | — | — | |
| SCHEMBL8447945 | 0.58 | HCAR2 (0.39) | — | |
| Lithium Ion SCHEMBL25198385 | 0.55 | FFAR2 (0.36) | — | |
| SCHEMBL29268097 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0942909-A1 | BICYCLIC AMINE DERIVATIVES | ZENECA LIMITED (GB) | 1999-09-22 | — | — | EP | disclosed |
| WO-1998022463-A1 | BICYCLIC AMINE DERIVATIVES | ZENECA LIMITED (GB) | 1998-05-28 | — | — | WO | disclosed |