⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20859673 | 0.74 | — | — | |
| SCHEMBL20621237 | 0.73 | — | — | |
| SCHEMBL24908253 | 0.73 | — | — | |
| SCHEMBL1085772 | 0.70 | — | — | |
| SCHEMBL10025865 | 0.69 | — | — | |
| SCHEMBL20689264 | 0.67 | — | — | |
| SCHEMBL10125975 | 0.67 | — | — | |
| SCHEMBL20621315 | 0.66 | ADORA2A (0.45) | — | |
| SCHEMBL21719963 | 0.64 | — | — | |
| SCHEMBL20697171 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230027026-A1 | FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | BLUEPRINT MEDICINES CORPORATION | 2023-01-26 | — | — | US | disclosed |
| US-9624181-B2 | Method for producing biaryl compound | API CORPORATION (JP) | 2017-04-18 | — | — | US | disclosed |