⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11316277 | 0.71 | — | — | |
| SCHEMBL674965 | 0.71 | — | — | |
| SCHEMBL1751666 | 0.71 | — | — | |
| SCHEMBL11466458 | 0.71 | — | — | |
| SCHEMBL2960541 | 0.65 | — | — | |
| Sulfamide SCHEMBL12465683 | 0.65 | — | — | |
| SCHEMBL5315226 | 0.62 | — | — | |
| Sulfamate SCHEMBL6525631 | 0.62 | — | — | |
| Sulfamide SCHEMBL27902112 | 0.62 | — | — | |
| SCHEMBL2565951 | 0.62 | — | — |
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-1456209-B1 | A2A ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2007-02-28 | — | — | EP | disclosed |