⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30798661 | 1.00 | — | — | |
| SCHEMBL30798747 | 0.84 | — | — | |
| SCHEMBL29989538 | 0.84 | — | — | |
| SCHEMBL29005134 | 0.84 | — | — | |
| SCHEMBL30342106 | 0.84 | — | — | |
| SCHEMBL29005275 | 0.80 | — | — | |
| SCHEMBL30342111 | 0.80 | — | — | |
| SCHEMBL30342195 | 0.77 | GLP1R (0.33) | — | |
| SCHEMBL29005207 | 0.77 | GLP1R (0.33) | — | |
| SCHEMBL16971736 | 0.74 | NFE2L2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4334306-A1 | ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS | Merck Sharp & Dohme LLC (US) | 2024-03-13 | — | — | EP | disclosed |
| WO-2022235558-A1 | ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2022-11-10 | — | — | WO | disclosed |