⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31444206 | 0.76 | CYP1A2 (0.46) | — | |
| SCHEMBL2749215 | 0.76 | ABL1 (0.47) | — | |
| SCHEMBL31650080 | 0.73 | — | — | |
| SCHEMBL31649678 | 0.73 | — | — | |
| SCHEMBL18769920 | 0.71 | HSD17B10 (0.35) | — | |
| SCHEMBL18769955 | 0.71 | L3MBTL1 (0.31) | — | |
| SCHEMBL16937583 | 0.71 | MAPT (0.43) | — | |
| SCHEMBL2671761 | 0.71 | GSK3A (0.45) | — | |
| SCHEMBL6288666 | 0.70 | ESR2 (0.34) | — | |
| SCHEMBL8339944 | 0.70 | CYP1A2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6974822-B2 | 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors | WARNER-LAMBERT COMPANY LLC (US) | 2005-12-13 | — | — | US | disclosed |
| US-20040038959-A1 | 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors | BUNKER AMY MAE (US) | 2004-02-26 | — | — | US | disclosed |
| WO-2004014378-A1 | 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |