⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3653854 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL9816902 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL23001233 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL11765195 | 0.95 | TSHR (0.38) | — | |
| SCHEMBL9765 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL3027163 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL5668962 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL14478066 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL296474 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL4791112 | 0.80 | TSHR (0.50) | — |
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-7094789-B2 | 5-substituted isoquinoline derivatives | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-08-22 | — | — | US | disclosed |
| EP-1541559-A1 | 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE | Asahi Kasei Pharma Corporation (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-20050020623-A1 | 5-Substituted isoquinoline derivatives | ASAHI KASEI PHARMA CORPORATION (JP) | 2005-01-27 | — | — | US | disclosed |