⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30975876 | 1.00 | — | — | |
| SCHEMBL24706910 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL5700357 | 0.77 | LMNA (0.40) | — | |
| SCHEMBL19255596 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL426759 | 0.74 | — | — | |
| SCHEMBL11165459 | 0.74 | NPC1 (0.33) | — | |
| SCHEMBL31214385 | 0.74 | — | — | |
| SCHEMBL2816481 | 0.73 | — | — | |
| SCHEMBL1404014 | 0.73 | — | — | |
| SCHEMBL846059 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024126648-A1 | SULFOXIMINES AS INHIBITORS OF NaV1.8 | Grünenthal GmbH (DE) | 2024-06-20 | — | — | WO | disclosed |
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |