⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3237702 | 0.80 | — | — | |
| SCHEMBL3250845 | 0.75 | — | — | |
| SCHEMBL1307151 | 0.74 | — | — | |
| SCHEMBL21291702 | 0.72 | EPHX1 (0.44) | — | |
| SCHEMBL17875059 | 0.67 | EPHX1 (0.50) | — | |
| SCHEMBL3237330 | 0.67 | EPHX1 (0.50) | — | |
| SCHEMBL15146215 | 0.65 | — | — | |
| SCHEMBL1955385 | 0.65 | EPHX1 (0.48) | — | |
| SCHEMBL6072132 | 0.63 | — | — | |
| SCHEMBL12833624 | 0.63 | — | — |
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-20060106048-A1 | Furoisoquinoline derivative and use thereof | PASCALI, PETROS P. (CY) | 2006-05-18 | — | — | US | disclosed |
| CN-1681823-A | Furoisoquinoline derivative and its application | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2005-10-12 | — | — | CN | disclosed |
| EP-1541576-A1 | FUROISOQUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |