⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13246201 | 0.92 | — | — | |
| SCHEMBL3114970 | 0.85 | P2RY14 (0.79) | — | |
| SCHEMBL13246192 | 0.82 | — | — | |
| SCHEMBL13246200 | 0.81 | — | — | |
| SCHEMBL3122568 | 0.81 | P2RY14 (0.77) | — | |
| SCHEMBL13246281 | 0.81 | — | — | |
| SCHEMBL13246291 | 0.81 | — | — | |
| SCHEMBL13246208 | 0.80 | P2RY14 (0.76) | — | |
| SCHEMBL13246197 | 0.80 | — | — | |
| SCHEMBL13246240 | 0.80 | P2RY14 (0.76) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100179173-A1 | SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2010-07-15 | — | — | US | disclosed |
| US-20100179173-A1 | SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2010-07-15 | — | — | US | disclosed |
| WO-2009000087-A1 | SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2008-12-31 | — | — | WO | disclosed |