⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14760448 | 0.91 | HSP90AA1 (0.57) | — | |
| SCHEMBL2703659 | 0.86 | — | — | |
| SCHEMBL6971443 | 0.79 | — | — | |
| SCHEMBL19017580 | 0.78 | FAAH (0.45) | — | |
| SCHEMBL3295869 | 0.77 | — | — | |
| SCHEMBL5622601 | 0.77 | — | — | |
| SCHEMBL12362917 | 0.76 | CNR2 (0.52) | — | |
| SCHEMBL30777859 | 0.74 | CNR2 (0.51) | — | |
| SCHEMBL29959771 | 0.74 | CNR2 (0.51) | — | |
| SCHEMBL17612593 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111410656-B | Preparation method of isoquinolone derivative | 西南林业大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-111410656-A | Preparation method of isoquinolone derivative | 嘉兴学院 | 2020-07-14 | — | — | CN | disclosed |