⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22657743 | 0.86 | — | — | |
| SCHEMBL13861790 | 0.86 | — | — | |
| SCHEMBL28697342 | 0.86 | — | — | |
| SCHEMBL16977824 | 0.85 | — | — | |
| SCHEMBL9147693 | 0.85 | — | — | |
| SCHEMBL9148086 | 0.85 | — | — | |
| SCHEMBL23525702 | 0.82 | — | — | |
| SCHEMBL23525704 | 0.82 | — | — | |
| SCHEMBL8821301 | 0.80 | — | — | |
| SCHEMBL6856517 | 0.76 | — | — |
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-117881664-A | Cycloalkyl 3-oxopiperazine carboxamides and cycloheteroalkyl 3-oxopiperazine carboxamides as NAV1.8 inhibitors | 默沙东有限责任公司 | 2024-04-12 | — | — | CN | disclosed |