⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215326 | 0.75 | PARP1 (0.46) | — | |
| SCHEMBL9194801 | 0.75 | PARP1 (0.46) | — | |
| SCHEMBL4230483 | 0.75 | CDK5 (0.49) | — | |
| SCHEMBL831827 | 0.75 | PARP1 (0.46) | — | |
| SCHEMBL307690 | 0.75 | TYMS (0.39) | — | |
| Hydrochloric Acid SCHEMBL5496370 | 0.74 | PARP1 (0.45) | — | |
| SCHEMBL9194546 | 0.73 | S100A4 (0.46) | — | |
| SCHEMBL10049025 | 0.68 | CDK5 (0.58) | — | |
| SCHEMBL9980468 | 0.68 | MAPT (0.41) | — | |
| SCHEMBL12961294 | 0.67 | ALDH1A1 (0.38) | — |
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-7425563-B2 | Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2008-09-16 | — | — | US | disclosed |
| US-20060173039-A1 | 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2006-08-03 | — | — | US | disclosed |
| EP-1544194-A1 | 4-(SUBSTITUTED ARYL)-5-HYDROXYISOQUINOLINONE DERIVATIVE | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2005-06-22 | — | — | EP | disclosed |