⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23526173 | 0.77 | GABRP (0.33) | — | |
| SCHEMBL29945634 | 0.77 | GABRP (0.33) | — | |
| SCHEMBL6219191 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL29677534 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL6220937 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL396021 | 0.69 | PLAU (0.39) | — | |
| SCHEMBL6220745 | 0.67 | DYRK1A (0.37) | — | |
| SCHEMBL14861003 | 0.67 | NPC1 (0.39) | — | |
| SCHEMBL11299840 | 0.65 | — | — | |
| SCHEMBL6288675 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6977261-B2 | Azaisoquinoline derivatives as matrix metalloproteinase inhibitors | WARNER-LAMBERT COMPANY LLC (US) | 2005-12-20 | — | — | US | disclosed |
| US-20050228018-A1 | Chemical compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-13 | — | — | US | disclosed |
| EP-1539709-A1 | AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040038961-A1 | Azaisoquinoline derivatives as matrix metalloproteinase inhibitors | BUNKER AMY MAE (US) | 2004-02-26 | — | — | US | disclosed |
| WO-2004014866-A1 | AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |