⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19334223 | 0.77 | TSHR (0.57) | — | |
| SCHEMBL25448204 | 0.77 | — | — | |
| SCHEMBL11306188 | 0.74 | — | — | |
| SCHEMBL298385 | 0.73 | CYP2D6 (1.00) | — | |
| SCHEMBL589940 | 0.72 | — | — | |
| SCHEMBL6585741 | 0.72 | CYP2D6 (0.60) | — | |
| SCHEMBL298080 | 0.72 | CYP2D6 (0.46) | — | |
| SCHEMBL4786291 | 0.70 | CYP2D6 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL27893881 | 0.70 | CYP2D6 (0.92) | — | |
| Hydrochloric Acid SCHEMBL11150442 | 0.70 | CYP2D6 (0.92) | — |
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-1000039-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | WYETH CORP (US) | 2004-06-09 | — | — | EP | disclosed |
| US-6251912-B1 | Substituted quinazoline derivatives | AMERICAN CYANAMID COMPANY | 2001-06-26 | — | — | US | disclosed |
| EP-1000039-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | American Cyanamid Company (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999009016-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |