⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23916149 | 0.73 | S1PR1 (0.32) | — | |
| SCHEMBL23839470 | 0.59 | AR (0.48) | — | |
| SCHEMBL24092520 | 0.57 | CRHR1 (0.42) | — | |
| SCHEMBL3347417 | 0.56 | AR (0.48) | — | |
| SCHEMBL27876719 | 0.55 | KMT2A (0.38) | — | |
| SCHEMBL13659896 | 0.55 | CRHR1 (0.46) | — | |
| SCHEMBL4863259 | 0.55 | S1PR1 (0.48) | — | |
| SCHEMBL3352698 | 0.55 | HCAR3 (0.60) | — | |
| SCHEMBL9798181 | 0.55 | UHRF1 (0.48) | — | |
| SCHEMBL9798174 | 0.55 | UHRF1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892276-A1 | ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS | BioSplice Therapeutics, Inc. (US) | 2021-10-13 | — | — | EP | disclosed |