⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL827481 | 0.74 | — | — | |
| SCHEMBL22711444 | 0.74 | — | — | |
| SCHEMBL319580 | 0.69 | — | — | |
| SCHEMBL3078486 | 0.68 | — | — | |
| SCHEMBL2344465 | 0.65 | MAPK1 (0.37) | — | |
| SCHEMBL27629210 | 0.64 | — | — | |
| SCHEMBL1313283 | 0.61 | MAPK1 (0.39) | — | |
| SCHEMBL103338 | 0.59 | — | — | |
| SCHEMBL329657 | 0.58 | MAPK1 (0.40) | — | |
| SCHEMBL17215391 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100343238-C | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | disclosed |
| CN-1585754-A | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2005-02-23 | — | — | CN | disclosed |
| CN-1053065-A | AZAOXINDOLE DERIVATIVES | PFIZER (US) | 1991-07-17 | — | — | CN | disclosed |