⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5578212 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL3855065 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL12798714 | 0.70 | METAP1 (0.45) | — | |
| SCHEMBL3346501 | 0.70 | CYP2A6 (0.49) | — | |
| SCHEMBL20225690 | 0.68 | CYP2A6 (0.30) | — | |
| SCHEMBL19255871 | 0.67 | — | — | |
| SCHEMBL11636830 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL3857710 | 0.64 | — | — | |
| SCHEMBL13548742 | 0.64 | — | — | |
| SCHEMBL652180 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582589-B2 | comprising a trimethylsily containing substituent on thiophene having microbiocidal activity; against the phytopathogenic fungi: agriculture or horticulture for controlling or preventing infestation of plants | SYNGENTA CROP PROTECTION, INC. (US) | 2009-09-01 | — | — | US | disclosed |
| EP-1620431-B1 | 3-CARBONYLAMINOTHIOPHENES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| US-20060276434-A1 | 3-Carbonylaminothiophenes and their use as fungicides | SYNGENTA CROP PROTECTION, INC. | 2006-12-07 | — | — | US | disclosed |
| EP-1620431-A1 | 3-CARBONYLAMINOTHIOPHENES AND THEIR USE AS FUNGICIDES | Syngenta Participations AG (CH) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004099195-A1 | 3-CARBONYLAMINOTHIOPHENES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-11-18 | — | — | WO | disclosed |