⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10800937 | 0.87 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL25394135 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL19898324 | 0.77 | — | — | |
| SCHEMBL16914285 | 0.75 | — | — | |
| SCHEMBL13681785 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL31208723 | 0.65 | — | — | |
| SCHEMBL23420847 | 0.65 | — | — | |
| SCHEMBL25151490 | 0.58 | — | — | |
| SCHEMBL24139829 | 0.58 | — | — | |
| SCHEMBL24231383 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230024516-A1 | ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF | GUANGZHOU OCUSUN OPHTHALMIC BIOTECHNOLOGY CO., LTD. (CN) | 2023-01-26 | — | — | US | disclosed |
| WO-2020253882-A1 | ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF | 中山大学中山眼科中心 | 2020-12-24 | — | — | WO | disclosed |
| EP-3138843-A1 | ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR | Medshine Discovery Inc. (CN) | 2017-03-08 | — | — | EP | disclosed |
| WO-2015165341-A1 | ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR | 南京明德新药研发股份有限公司 | 2015-11-05 | — | — | WO | disclosed |