⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24075459 | 0.72 | — | — | |
| SCHEMBL736047 | 0.72 | — | — | |
| SCHEMBL736046 | 0.72 | — | — | |
| SCHEMBL11833456 | 0.66 | HSD17B10 (0.30) | — | |
| SCHEMBL11833451 | 0.66 | HSD17B10 (0.30) | — | |
| SCHEMBL13093832 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL27434511 | 0.65 | CYP1A2 (0.32) | — | |
| SCHEMBL921645 | 0.63 | — | — | |
| SCHEMBL27343852 | 0.60 | CES1 (0.36) | — | |
| SCHEMBL14451906 | 0.60 | CYP1A2 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3988544-A1 | ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF | Guangzhou Ocusun Ophthalmic Biotechnology Co., Ltd. (CN) | 2022-04-27 | — | — | EP | disclosed |