⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29005305 | 0.82 | LRRK2 (0.35) | — | |
| SCHEMBL29162098 | 0.77 | KDM4E (0.40) | — | |
| Hydrochloric Acid SCHEMBL29005070 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL12363458 | 0.70 | TUBB4A (0.37) | — | |
| SCHEMBL29162097 | 0.69 | DRD1 (0.34) | — | |
| SCHEMBL28959797 | 0.68 | APP (0.37) | — | |
| SCHEMBL29162043 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL29005178 | 0.67 | — | — | |
| SCHEMBL29162120 | 0.65 | MEN1 (0.49) | — | |
| SCHEMBL18180236 | 0.64 | KDM4E (0.48) | — |
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-117597339-A | Aryl 3-oxo-piperazine carboxamides and heteroaryl 3-oxo-piperazine carboxamides as NAV1.8 inhibitors | 默沙东有限责任公司 | 2024-02-23 | — | — | CN | disclosed |