⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12815577 | 0.92 | — | — | |
| SCHEMBL12815507 | 0.90 | — | — | |
| SCHEMBL12816763 | 0.89 | — | — | |
| SCHEMBL12814820 | 0.88 | — | — | |
| SCHEMBL12815403 | 0.87 | — | — | |
| SCHEMBL12814901 | 0.87 | — | — | |
| SCHEMBL12814945 | 0.85 | — | — | |
| SCHEMBL12815254 | 0.84 | — | — | |
| SCHEMBL2554527 | 0.84 | MAPK1 (0.52) | — | |
| SCHEMBL12814990 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2691373-A1 | 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2014-02-05 | — | — | EP | disclosed |
| WO-2012131588-A1 | 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-10-04 | — | — | WO | disclosed |