⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19370209 | 1.00 | — | — | |
| SCHEMBL5868412 | 1.00 | — | — | |
| SCHEMBL12252372 | 0.96 | FUCA1 (0.63) | — | |
| SCHEMBL21052633 | 0.93 | FUCA1 (0.52) | — | |
| SCHEMBL2208496 | 0.92 | — | — | |
| SCHEMBL23452030 | 0.87 | FUCA1 (0.48) | — | |
| SCHEMBL26568405 | 0.87 | FUCA1 (0.48) | — | |
| SCHEMBL13350944 | 0.82 | — | — | |
| SCHEMBL12196704 | 0.82 | — | — | |
| SCHEMBL23844308 | 0.82 | — | — |
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 |