⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2409118 | 0.85 | — | — | |
| SCHEMBL1191709 | 0.72 | — | — | |
| SCHEMBL12802124 | 0.71 | — | — | |
| SCHEMBL424456 | 0.70 | — | — | |
| SCHEMBL23551308 | 0.67 | — | — | |
| SCHEMBL18831865 | 0.67 | — | — | |
| SCHEMBL10288045 | 0.67 | — | — | |
| SCHEMBL10288478 | 0.67 | — | — | |
| SCHEMBL24702291 | 0.67 | — | — | |
| SCHEMBL1794699 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1948180-A1 | COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2008-07-30 | — | — | EP | claimed |
| WO-2007054551-A1 | COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-18 | — | — | WO | claimed |
| EP-1345910-A1 | QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002050043-A1 | QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-06-27 | — | — | WO | disclosed |