⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6852810 | 0.71 | — | — | |
| SCHEMBL42541 | 0.71 | — | — | |
| SCHEMBL9752450 | 0.69 | — | — | |
| SCHEMBL1245259 | 0.61 | — | — | |
| SCHEMBL19935 | 0.59 | — | — | |
| SCHEMBL6859078 | 0.58 | — | — | |
| SCHEMBL7695669 | 0.58 | — | — | |
| SCHEMBL5964920 | 0.58 | — | — | |
| SCHEMBL284445 | 0.58 | — | — | |
| SCHEMBL19175 | 0.58 | — | — |
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 2 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 |
| WO-2002064572-A1 | QUINAZOLINES AS MMP-13 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |