⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29476468 | 0.73 | CDC25B (0.35) | — | |
| SCHEMBL611310 | 0.73 | CDC25B (0.35) | — | |
| SCHEMBL29362249 | 0.67 | — | — | |
| SCHEMBL5799303 | 0.67 | — | — | |
| SCHEMBL29941540 | 0.63 | TSHR (0.46) | — | |
| SCHEMBL26512105 | 0.62 | CDC25B (0.33) | — | |
| SCHEMBL6748828 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL29072518 | 0.60 | — | — | |
| SCHEMBL13811980 | 0.59 | — | — | |
| SCHEMBL14586458 | 0.59 | — | — |
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-2144889-A2 | QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS | DAC S.r.l. (IT) | 2010-01-20 | — | — | EP | claimed |
| WO-2008142720-A2 | QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS | DAC SRL (IT) | 2008-11-27 | — | — | WO | claimed |
| EP-2144889-A2 | QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS | DAC S.r.l. (IT) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008142720-A2 | QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS | DAC SRL (IT) | 2008-11-27 | — | — | WO | disclosed |