⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28840399 | 0.84 | MRGPRX4 (0.34) | — | |
| SCHEMBL28953053 | 0.83 | PYGL (0.30) | — | |
| SCHEMBL28840449 | 0.80 | NPC1 (0.37) | — | |
| SCHEMBL28840456 | 0.80 | NPC1 (0.37) | — | |
| SCHEMBL28840443 | 0.80 | SCN9A (0.31) | — | |
| SCHEMBL28953056 | 0.77 | SCN9A (0.31) | — | |
| SCHEMBL28840432 | 0.77 | HPGD (0.50) | — | |
| SCHEMBL28840853 | 0.74 | SCN9A (0.33) | — | |
| SCHEMBL28840450 | 0.73 | LRRK2 (0.38) | — | |
| SCHEMBL28840434 | 0.68 | PDK2 (0.36) | — |
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-115052856-A | 3-alkoxybenzamide derivative and pest control agent | 组合化学工业株式会社 | 2022-09-13 | — | — | CN | disclosed |