⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29640827 | 0.91 | PDE10A (0.33) | — | |
| SCHEMBL29640812 | 0.89 | TIPARP (0.39) | — | |
| SCHEMBL29640858 | 0.83 | DYRK1A (0.33) | — | |
| SCHEMBL29640938 | 0.83 | ROCK2 (0.42) | — | |
| SCHEMBL29640810 | 0.83 | DYRK1A (0.36) | — | |
| SCHEMBL29640778 | 0.80 | ROCK2 (0.38) | — | |
| SCHEMBL29640878 | 0.80 | DYRK1A (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL29640847 | 0.80 | ACHE (0.35) | — | |
| SCHEMBL29640949 | 0.78 | MAP4K1 (0.37) | — | |
| SCHEMBL29640839 | 0.78 | DYRK1A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |