⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24584387 | 1.00 | — | — | |
| SCHEMBL5833553 | 1.00 | — | — | |
| SCHEMBL13650771 | 1.00 | — | — | |
| SCHEMBL12223046 | 0.78 | — | — | |
| SCHEMBL12289687 | 0.78 | — | — | |
| SCHEMBL1827359 | 0.78 | — | — | |
| SCHEMBL7959388 | 0.76 | — | — | |
| SCHEMBL22055310 | 0.76 | — | — | |
| SCHEMBL17176182 | 0.74 | — | — | |
| SCHEMBL25454697 | 0.74 | — | — |
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-20090247559-A1 | Benzofuropyrimidinones | EXELIXIS, INC. (US) | 2009-10-01 | — | — | US | disclosed |