⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9198173 | 1.00 | — | — | |
| SCHEMBL17304913 | 0.85 | MAPT (0.50) | — | |
| SCHEMBL10899903 | 0.85 | MAPT (0.50) | — | |
| SCHEMBL868400 | 0.83 | TRPA1 (0.59) | — | |
| SCHEMBL13952533 | 0.83 | TRPA1 (0.59) | — | |
| SCHEMBL868399 | 0.83 | TRPA1 (0.59) | — | |
| SCHEMBL19628508 | 0.82 | TAS1R3 (0.39) | — | |
| SCHEMBL7118118 | 0.82 | — | — | |
| SCHEMBL3280819 | 0.82 | — | — | |
| SCHEMBL7118124 | 0.82 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12532884-B2 | Fungicidal compositions | SYNGENTA CROP PROTECTION AG (CH) | 2026-01-27 | — | — | US | disclosed |
| WO-2024126407-A1 | BENZIMIDAZOLE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2024-06-20 | — | — | WO | disclosed |
| US-20230125322-A1 | FUNGICIDAL COMPOSITIONS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | disclosed |
| EP-4161924-A1 | MICROBIOCIDAL DERIVATIVES | Syngenta Crop Protection AG (CH) | 2023-04-12 | — | — | EP | disclosed |
| EP-3008042-A1 | NOVEL CYP17 INHIBITORS/ANTIANDROGENS | Orion Corporation (FI) | 2016-04-20 | — | — | EP | disclosed |
| WO-2014202827-A1 | NOVEL CYP17 INHIBITORS/ANTIANDROGENS | ORION CORPORATION (FI) | 2014-12-24 | — | — | WO | disclosed |
| WO-2013127780-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2013-09-06 | — | — | WO | disclosed |
| EP-0146103-B1 | USE OF 5-METHYL-2-HEPTEN-4-ONE AS A PERFUMING OR FLAVOURING AGENT, AND PERFUMING AND/OR FLAVOURING COMPOSITIONS CONTAINING THE SAME | HAARMANN & REIMER GMBH (DE) | 1987-08-05 | — | — | EP | disclosed |
| EP-0146103-A2 | Use of 5-methyl-2-hepten-4-one as a perfuming or flavouring agent, and perfuming and/or flavouring compositions containing the same | HAARMANN & REIMER GMBH (DE) | 1985-06-26 | — | — | EP | disclosed |