⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29132906 | 0.71 | — | — | |
| SCHEMBL29132989 | 0.71 | — | — | |
| SCHEMBL21570133 | 0.71 | — | — | |
| SCHEMBL29132908 | 0.71 | — | — | |
| SCHEMBL21570107 | 0.71 | — | — | |
| SCHEMBL7238305 | 0.68 | — | — | |
| SCHEMBL7238301 | 0.68 | — | — | |
| SCHEMBL13181955 | 0.67 | — | — | |
| SCHEMBL30973549 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL29164937 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1370568-B1 | CHEMICAL COMPOUNDS | GLAXO GROUP LTD (GB) | 2005-10-12 | — | — | EP | disclosed |
| US-20040162422-A1 | adenosine derivatives having an acetylene group in the 4' position, which are adenosine A1 agonists; treating ischaemic heart disease, peripheral vascular disease or stroke or patient suffering pain, a CNS disorder, sleep apnoea or emesis | HALL ADRIAN (GB) | 2004-08-19 | — | — | US | disclosed |
| CN-1501941-A | Chemical compounds | — | 2004-06-02 | — | — | CN | disclosed |
| EP-1370568-A1 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002074780-A1 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |