⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4247629 | 0.84 | RRM2 (0.35) | — | |
| SCHEMBL1097540 | 0.76 | — | — | |
| SCHEMBL1098766 | 0.71 | TDP1 (0.41) | — | |
| SCHEMBL20710 | 0.70 | — | — | |
| SCHEMBL533329 | 0.68 | — | — | |
| SCHEMBL3632606 | 0.68 | ADRA2A (0.50) | — | |
| SCHEMBL7367240 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL213916 | 0.67 | — | — | |
| SCHEMBL2067361 | 0.67 | — | — | |
| SCHEMBL1721888 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120165351-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2012-06-28 | — | — | US | disclosed |
| US-8153643-B2 | Quinazoline derivatives | ASTRAZENECA AB (SE) | 2012-04-10 | — | — | US | disclosed |
| EP-1802591-B1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2012-01-11 | — | — | EP | disclosed |
| US-20090233924-A1 | Quinazoline derivatives | ASTRAZENECA AB (SE) | 2009-09-17 | — | — | US | disclosed |