⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29162098 | 0.74 | KDM4E (0.40) | — | |
| Hydrochloric Acid SCHEMBL29005070 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL29127598 | 0.72 | — | — | |
| SCHEMBL29005142 | 0.71 | — | — | |
| SCHEMBL16626827 | 0.71 | HCAR3 (0.44) | — | |
| SCHEMBL16534383 | 0.68 | — | — | |
| SCHEMBL29005174 | 0.68 | L3MBTL1 (0.41) | — | |
| SCHEMBL29005313 | 0.68 | KCNJ1 (0.33) | — | |
| SCHEMBL29162123 | 0.67 | — | — | |
| SCHEMBL29005159 | 0.67 | SIRT6 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116134018-A | 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor | 默沙东有限责任公司 | 2023-05-16 | — | — | CN | disclosed |