⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1660775 | 1.00 | — | — | |
| SCHEMBL6661490 | 0.82 | CA1 (0.42) | — | |
| SCHEMBL6660696 | 0.82 | CA1 (0.42) | — | |
| SCHEMBL3680381 | 0.82 | CA1 (0.42) | — | |
| SCHEMBL12936106 | 0.82 | — | — | |
| SCHEMBL1867589 | 0.82 | — | — | |
| SCHEMBL6822222 | 0.82 | — | — | |
| SCHEMBL6884095 | 0.82 | — | — | |
| SCHEMBL13649859 | 0.82 | — | — | |
| SCHEMBL16672067 | 0.82 | CA1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |