⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19127368 | 0.97 | ENPP2 (0.33) | — | |
| SCHEMBL73933 | 0.97 | — | — | |
| SCHEMBL2106503 | 0.94 | — | — | |
| Hydroxyamine SCHEMBL6622692 | 0.89 | — | — | |
| Hymexazol SCHEMBL5466985 | 0.76 | ALDH1A1 (0.34) | — | |
| Hymexazol SCHEMBL19127366 | 0.70 | GABRP (0.33) | — | |
| SCHEMBL31088516 | 0.69 | — | — | |
| SCHEMBL3082762 | 0.65 | NPC1 (0.42) | — | |
| SCHEMBL4292029 | 0.65 | — | — | |
| SCHEMBL28836867 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118613466-A | Arylcyclohexanedione derivatives and salts thereof, pest control agents containing the same and methods of use thereof | 株式会社艾迪科 | 2024-09-06 | — | — | CN | disclosed |
| US-20220167620-A1 | AGROCHEMICAL COMPOSITION WITH ENHANCED EFFICACY | MITSUI CHEMICALS AGRO, INC. (JP) | 2022-06-02 | — | — | US | disclosed |
| EP-3954215-A1 | AGROCHEMICAL COMPOSITION WITH STRENGTHENED EFFICACY | Mitsui Chemicals Agro, Inc. (JP) | 2022-02-16 | — | — | EP | disclosed |