⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9064360 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL10777137 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL448144 | 0.72 | RAPGEF4 (0.38) | — | |
| SCHEMBL5566891 | 0.71 | ACHE (0.43) | — | |
| SCHEMBL11026412 | 0.69 | ACHE (0.35) | — | |
| SCHEMBL10304840 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL5424156 | 0.69 | SCN4A (0.41) | — | |
| SCHEMBL4342022 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL4854432 | 0.67 | — | — | |
| SCHEMBL5454389 | 0.67 | ACHE (0.40) | — |
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-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | BERTHEL STEVEN JOSEPH | 2009-04-23 | — | — | US | disclosed |
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| US-20060211715-A1 | Quinazoline protein tyrosine phosphatase inhibitors | BERTHEL STEVEN J | 2006-09-21 | — | — | US | disclosed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | disclosed |