⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23763881 | 0.75 | — | — | |
| SCHEMBL10208353 | 0.75 | — | — | |
| SCHEMBL10100208 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3442737 | 0.73 | FUCA1 (0.33) | — | |
| SCHEMBL19287539 | 0.73 | — | — | |
| SCHEMBL19119942 | 0.73 | — | — | |
| SCHEMBL1547867 | 0.68 | CYP2C9 (0.30) | — | |
| SCHEMBL22175412 | 0.67 | — | — | |
| SCHEMBL25597484 | 0.64 | — | — | |
| SCHEMBL10854981 | 0.64 | — | — |
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-3450433-B1 | PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS | SUMITOMO DAINIPPON PHARMA CO LTD (JP) | 2021-08-18 | — | — | EP | disclosed |