⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL734856 | 0.77 | TET2 (0.35) | — | |
| SCHEMBL27192544 | 0.77 | ACLY (0.37) | — | |
| SCHEMBL27859553 | 0.74 | GGT1 (0.44) | — | |
| SCHEMBL2644569 | 0.72 | MAPT (0.39) | — | |
| SCHEMBL7082393 | 0.70 | DUT (0.37) | — | |
| SCHEMBL6534167 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL20438624 | 0.68 | BACE1 (0.30) | — | |
| SCHEMBL31354804 | 0.68 | DUT (0.33) | — | |
| SCHEMBL1314515 | 0.67 | DUT (0.34) | — | |
| SCHEMBL3179303 | 0.67 | TET2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4581035-A1 | EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | Merck Sharp & Dohme LLC (US) | 2025-07-09 | — | — | EP | disclosed |
| US-20240116945-A1 | EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2024-04-11 | — | — | US | disclosed |
| WO-2024049931-A1 | EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2024-03-07 | — | — | WO | disclosed |