⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26615668 | 0.74 | — | — | |
| SCHEMBL27922626 | 0.73 | — | — | |
| SCHEMBL19242571 | 0.69 | GRIN2D (0.33) | — | |
| Formaldehyde SCHEMBL22773513 | 0.65 | GRIN2D (0.39) | — | |
| SCHEMBL25420174 | 0.63 | — | — | |
| SCHEMBL22581266 | 0.63 | — | — | |
| SCHEMBL9115643 | 0.63 | MEN1 (0.36) | — | |
| SCHEMBL23985641 | 0.63 | — | — | |
| SCHEMBL19242652 | 0.63 | — | — | |
| SCHEMBL26430784 | 0.62 | PKM (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240252473-A1 | Sulfoximines as inhibitors of NaV1.8 | GRUENENTHAL GMBH (DE) | 2024-08-01 | — | — | US | disclosed |
| WO-2017139210-A1 | C5-C6-OXACYLIC FUSED IMINOTHIADIAZINE DIOXIDE COMPOUNDS BEARING AN ETHER LINKER AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-08-17 | — | — | WO | disclosed |