⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533619 | 1.00 | — | — | |
| SCHEMBL1149018 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL957439 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL957438 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL5904844 | 0.87 | ALDH1A1 (0.45) | — | |
| SCHEMBL49907 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL140318 | 0.81 | — | — | |
| SCHEMBL9440025 | 0.81 | — | — | |
| SCHEMBL29013124 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL16289798 | 0.75 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4081299-B1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2024-09-25 | — | — | EP | disclosed |
| US-20230192646-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2023-06-22 | — | — | US | disclosed |
| US-4488993-A | Amidinoureas | WILLIAM H. RORER, INC. | 1984-12-18 | — | — | US | disclosed |
| US-4220658-A | Treatment of hypertension with amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-02 | — | — | US | disclosed |