⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11175085 | 0.70 | — | — | |
| SCHEMBL9575529 | 0.69 | LPAR6 (0.32) | — | |
| SCHEMBL16020615 | 0.69 | LPAR6 (0.33) | — | |
| SCHEMBL29356 | 0.68 | — | — | |
| SCHEMBL921726 | 0.67 | — | — | |
| SCHEMBL13541655 | 0.67 | THRB (0.42) | — | |
| SCHEMBL12865190 | 0.67 | LPAR6 (0.35) | — | |
| SCHEMBL16020811 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL2386474 | 0.67 | — | — | |
| SCHEMBL9644522 | 0.66 | — | — |
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-7964613-B2 | (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors | ASAHI KASEI PHARMA CORPORATION (JP) | 2011-06-21 | — | — | US | disclosed |
| EP-2130828-A1 | SULFONAMIDE DERIVATIVE | Asahi Kasei Pharma Corporation (JP) | 2009-12-09 | — | — | EP | disclosed |
| US-20090048223-A1 | Sulfonamide compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-02-19 | — | — | US | disclosed |