⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22679954 | 0.81 | — | — | |
| SCHEMBL22055396 | 0.76 | — | — | |
| SCHEMBL20074493 | 0.75 | — | — | |
| SCHEMBL23229847 | 0.74 | — | — | |
| SCHEMBL23761243 | 0.74 | — | — | |
| SCHEMBL23764784 | 0.72 | — | — | |
| SCHEMBL18850533 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL22680419 | 0.68 | — | — | |
| SCHEMBL27396326 | 0.66 | — | — | |
| SCHEMBL24186984 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |