⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17865592 | 0.77 | NAAA (0.47) | — | |
| SCHEMBL681192 | 0.76 | NAAA (0.52) | — | |
| SCHEMBL23706582 | 0.75 | — | — | |
| Methane SCHEMBL6300031 | 0.73 | NAAA (0.50) | — | |
| SCHEMBL7641621 | 0.71 | ALDH1A1 (0.52) | — | |
| SCHEMBL11633352 | 0.71 | NAAA (0.48) | — | |
| SCHEMBL22160477 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL9129791 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL686681 | 0.69 | — | — | |
| Propionic Acid SCHEMBL15282786 | 0.69 | FFAR3 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2021153720-A1 | 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT | クミアイ化学工業株式会社 | 2021-08-05 | — | — | WO | disclosed |