⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22193287 | 0.97 | GRIN2D (0.31) | — | |
| SCHEMBL25046187 | 0.79 | — | — | |
| SCHEMBL19242650 | 0.71 | — | — | |
| SCHEMBL23481997 | 0.69 | TP53 (0.33) | — | |
| Formaldehyde SCHEMBL22773513 | 0.69 | GRIN2D (0.39) | — | |
| SCHEMBL25699247 | 0.67 | — | — | |
| SCHEMBL19448121 | 0.67 | — | — | |
| SCHEMBL26474642 | 0.67 | — | — | |
| SCHEMBL25203477 | 0.67 | — | — | |
| SCHEMBL22581266 | 0.67 | — | — |
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-2021220183-A1 | IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 | JANSSEN PHARMACEUTICA NV (BE) | 2021-11-04 | — | — | WO | disclosed |