⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193032 | 0.78 | HSD17B10 (0.47) | — | |
| SCHEMBL4437865 | 0.76 | ACHE (0.33) | — | |
| SCHEMBL1720012 | 0.68 | KMT2A (0.30) | — | |
| SCHEMBL157670 | 0.64 | — | — | |
| SCHEMBL1043755 | 0.64 | — | — | |
| SCHEMBL3713009 | 0.63 | — | — | |
| SCHEMBL38194 | 0.63 | — | — | |
| SCHEMBL5584028 | 0.63 | AHR (0.30) | — | |
| SCHEMBL5726535 | 0.61 | CYP1A2 (0.33) | — | |
| SCHEMBL96927 | 0.61 | PARP1 (0.41) | — |
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-1663983-B1 | N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS | 4SC AG (DE) | 2009-01-21 | — | — | EP | disclosed |
| EP-1663983-A1 | N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS | 4SC AG (DE) | 2006-06-07 | — | — | EP | disclosed |
| US-20050070570-A1 | Novel potassium channels modulators | 4SC AG (DE) | 2005-03-31 | — | — | US | disclosed |
| WO-2004113302-A1 | N-SUBSTITUTED 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS | 4SC AG (DE) | 2004-12-29 | — | — | WO | disclosed |