⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17690663 | 0.78 | — | — | |
| SCHEMBL22212495 | 0.73 | — | — | |
| SCHEMBL5567766 | 0.73 | — | — | |
| SCHEMBL12033846 | 0.71 | — | — | |
| SCHEMBL12835171 | 0.71 | — | — | |
| SCHEMBL14180541 | 0.70 | PHGDH (0.33) | — | |
| SCHEMBL477274 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL21472127 | 0.69 | — | — | |
| SCHEMBL13140990 | 0.69 | GNAI3 (0.32) | — | |
| SCHEMBL17058019 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1487806-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | Astrazeneca AB (SE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082831-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB (SE) | 2003-10-09 | — | — | WO | disclosed |