⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL367684 | 0.90 | — | — | |
| SCHEMBL2829 | 0.60 | — | — | |
| SCHEMBL4939324 | 0.60 | — | — | |
| SCHEMBL242778 | 0.60 | — | — | |
| SCHEMBL136351 | 0.52 | — | — | |
| SCHEMBL3080293 | 0.50 | NOS3 (0.47) | — | |
| SCHEMBL723915 | 0.49 | — | — | |
| SCHEMBL17533951 | 0.49 | — | — | |
| SCHEMBL723744 | 0.49 | — | — | |
| SCHEMBL101997 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100234341-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-16 | — | — | US | disclosed |