⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6249076 | 0.75 | — | — | |
| SCHEMBL18287539 | 0.60 | — | — | |
| SCHEMBL11098867 | 0.57 | — | — | |
| SCHEMBL13523738 | 0.55 | — | — | |
| SCHEMBL17867065 | 0.55 | — | — | |
| SCHEMBL17104857 | 0.52 | — | — | |
| SCHEMBL9386099 | 0.48 | — | — | |
| SCHEMBL4584754 | 0.47 | — | — | |
| SCHEMBL24459 | 0.47 | — | — | |
| Fluoride SCHEMBL498862 | 0.45 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005044008-A2 | 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2005-05-19 | — | — | WO | disclosed |