⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1842688 | 0.82 | — | — | |
| SCHEMBL16867126 | 0.82 | — | — | |
| SCHEMBL1831929 | 0.78 | — | — | |
| SCHEMBL28067738 | 0.75 | MAPK1 (0.36) | — | |
| SCHEMBL22494581 | 0.67 | CNR2 (0.33) | — | |
| SCHEMBL21719618 | 0.67 | GGPS1 (0.33) | — | |
| SCHEMBL20734528 | 0.65 | — | — | |
| SCHEMBL6872093 | 0.65 | — | — | |
| SCHEMBL31710663 | 0.64 | — | — | |
| SCHEMBL25450634 | 0.64 | — | — |
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 1 patent. 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 |