⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11473436 | 0.85 | — | — | |
| Diethanolamine SCHEMBL10947977 | 0.82 | MEN1 (0.33) | — | |
| Diethanolamine SCHEMBL28738782 | 0.78 | — | — | |
| Diethanolamine SCHEMBL5843119 | 0.74 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.74 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL23363665 | 0.74 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.74 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.74 | — | — | |
| SCHEMBL4445476 | 0.74 | — | — | |
| SCHEMBL4340440 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7632840-B2 | Quinazoline compounds for the treatment of hyperproliferative disorders | ASTRAZENECA AB (SE) | 2009-12-15 | — | — | US | disclosed |
| EP-1713781-B1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-11-05 | — | — | EP | disclosed |
| US-20070293490-A1 | Quinazoline Derivatives | ASTRAZENECA AB (SE) | 2007-12-20 | — | — | US | disclosed |
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |