⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1489621 | 1.00 | — | — | |
| SCHEMBL8851876 | 0.86 | DRD2 (0.33) | — | |
| SCHEMBL7513496 | 0.83 | DRD2 (0.34) | — | |
| SCHEMBL143094 | 0.79 | — | — | |
| SCHEMBL667154 | 0.79 | — | — | |
| SCHEMBL667578 | 0.79 | — | — | |
| SCHEMBL3778244 | 0.76 | — | — | |
| SCHEMBL188743 | 0.75 | — | — | |
| SCHEMBL492513 | 0.75 | — | — | |
| SCHEMBL491774 | 0.75 | — | — |
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-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |