⚠ 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 SCHEMBL1927803 | 0.97 | LMNA (0.41) | — | |
| SCHEMBL7166173 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL5662268 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL309862 | 0.73 | — | — | |
| SCHEMBL28379739 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL12124909 | 0.71 | — | — | |
| SCHEMBL12332004 | 0.71 | — | — | |
| SCHEMBL1927704 | 0.71 | — | — | |
| SCHEMBL7054372 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL6679881 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7956188-B2 | N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants | SYNGENTA CROP PROTECTION, INC. (US) | 2011-06-07 | — | — | US | disclosed |
| US-20080171767-A1 | N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants | SYNGENTA CROP PROTECTION, INC. (US) | 2008-07-17 | — | — | US | disclosed |