⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18404545 | 0.73 | — | — | |
| SCHEMBL4885993 | 0.72 | — | — | |
| SCHEMBL10381836 | 0.70 | — | — | |
| SCHEMBL789243 | 0.64 | — | — | |
| SCHEMBL19062833 | 0.64 | — | — | |
| SCHEMBL231670 | 0.63 | — | — | |
| SCHEMBL2466483 | 0.61 | — | — | |
| SCHEMBL10274611 | 0.61 | — | — | |
| SCHEMBL7943819 | 0.61 | — | — | |
| SCHEMBL8731778 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1530472-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| US-20040044000-A1 | Isoquinoline derivatives as matrix metalloproteinase inhibitors | BUNKER AMY MAE (US) | 2004-03-04 | — | — | US | disclosed |
| WO-2004014379-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |