⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL908970 | 0.93 | CYP1A2 (0.52) | — | |
| SCHEMBL11230719 | 0.80 | — | — | |
| SCHEMBL5675269 | 0.80 | — | — | |
| SCHEMBL5678908 | 0.80 | — | — | |
| SCHEMBL31351964 | 0.77 | CYP1A2 (0.40) | — | |
| SCHEMBL12371218 | 0.75 | CYP1A2 (0.50) | — | |
| SCHEMBL12561015 | 0.74 | CYP1A2 (0.50) | — | |
| SCHEMBL10206077 | 0.73 | — | — | |
| SCHEMBL294017 | 0.73 | — | — | |
| SCHEMBL8325168 | 0.73 | — | — |
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-1272185-B1 | USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS | ASTRAZENECA AB (SE) | 2005-07-27 | — | — | EP | claimed |