⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1164858 | 0.80 | — | — | |
| SCHEMBL19810526 | 0.75 | — | — | |
| SCHEMBL13180015 | 0.73 | — | — | |
| SCHEMBL14473682 | 0.73 | — | — | |
| SCHEMBL1833058 | 0.72 | — | — | |
| SCHEMBL13623711 | 0.72 | — | — | |
| Bromide SCHEMBL5432878 | 0.69 | — | — | |
| Tert-Butanol SCHEMBL27832337 | 0.69 | ALDH1A1 (0.33) | — | |
| Iodide SCHEMBL3387682 | 0.69 | — | — | |
| SCHEMBL2273678 | 0.69 | — | — |
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-1368324-A1 | QUINAZOLINES AS MMP-13 INHIBITORS | Warner-Lambert Company LLC (US) | 2003-12-10 | — | — | EP | disclosed |
| US-20020193377-A1 | Quinazolines as MMP-13 inhibitors | ANDRIANJARA CHARLES (FR) | 2002-12-19 | — | — | US | disclosed |
| WO-2002064572-A1 | QUINAZOLINES AS MMP-13 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |
| US-3959351-A | INSECTICIDE, CHOLINESTERASE INHIBITOR | RESEARCH CORPORATION (US) | 1976-05-25 | — | — | US | disclosed |