⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5604846 | 0.82 | — | — | |
| SCHEMBL23795964 | 0.82 | — | — | |
| SCHEMBL28743528 | 0.76 | — | — | |
| SCHEMBL4081616 | 0.75 | HIF1A (0.37) | — | |
| SCHEMBL16830089 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL23077323 | 0.72 | AOC3 (0.31) | — | |
| SCHEMBL821115 | 0.72 | — | — | |
| SCHEMBL4487307 | 0.72 | — | — | |
| SCHEMBL4487319 | 0.72 | — | — | |
| SCHEMBL9022688 | 0.71 | — | — |
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-0944629-B1 | BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS | AMERICAN CYANAMID CO (US) | 2002-09-04 | — | — | EP | disclosed |