⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29281154 | 1.00 | — | — | |
| SCHEMBL257301 | 0.75 | — | — | |
| SCHEMBL9423146 | 0.75 | — | — | |
| SCHEMBL13092141 | 0.75 | — | — | |
| SCHEMBL29581947 | 0.73 | MAPT (0.41) | — | |
| SCHEMBL15437684 | 0.73 | — | — | |
| SCHEMBL29281135 | 0.68 | AKT1 (0.32) | — | |
| SCHEMBL29281137 | 0.68 | AKT1 (0.32) | — | |
| SCHEMBL9541659 | 0.68 | DUSP3 (0.42) | — | |
| SCHEMBL382020 | 0.68 | PTPN1 (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 |
|---|---|---|---|---|---|---|---|
| US-20240294512-A1 | HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2024-09-05 | — | — | US | disclosed |
| CN-117858875-A | Hydroxy-and (halo) alkoxy-substituted tetrahydrofurans as sodium channel modulators | 沃泰克斯药物股份有限公司 | 2024-04-09 | — | — | CN | disclosed |