⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2890666 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL9015211 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL12778730 | 0.73 | — | — | |
| SCHEMBL1774516 | 0.73 | — | — | |
| SCHEMBL10854320 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL3244132 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL5410484 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL21617749 | 0.70 | CYP3A4 (0.41) | — | |
| SCHEMBL1545421 | 0.70 | ALDH1A1 (0.53) | — | |
| SCHEMBL27679425 | 0.70 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-12258345-B1 | Pyrrolo[3,2-c]isoquinoline-2,3-dione compounds as CK2 inhibitors | King Faisal University (SA) | 2025-03-25 | — | — | US | disclosed |