⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7546724 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL2123433 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL18431000 | 0.73 | — | — | |
| SCHEMBL7056848 | 0.73 | — | — | |
| SCHEMBL7101023 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL12852155 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL6476012 | 0.72 | — | — | |
| SCHEMBL11574277 | 0.71 | — | — | |
| SCHEMBL11313394 | 0.71 | — | — | |
| SCHEMBL9077135 | 0.71 | ALDH1A1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-5616582-A | Use as anticancer agents; e.g. gefitinib | ZENECA LIMITED (GB) | 1997-04-01 | — | — | US | disclosed |
| US-5457105-A | anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) | ZENECA LIMITED (GB) | 1995-10-10 | — | — | US | disclosed |
| EP-0566226-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1993-10-20 | — | — | EP | disclosed |