⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4405857 | 0.87 | HTT (0.31) | — | |
| SCHEMBL4409411 | 0.86 | — | — | |
| SCHEMBL4397001 | 0.84 | NOS1 (0.32) | — | |
| SCHEMBL4407094 | 0.79 | CCR1 (0.31) | — | |
| SCHEMBL4397949 | 0.79 | — | — | |
| SCHEMBL4397674 | 0.77 | PLAU (0.33) | — | |
| SCHEMBL28292655 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL4402185 | 0.72 | POLB (0.32) | — | |
| SCHEMBL4411598 | 0.72 | CCR1 (0.31) | — | |
| SCHEMBL4399733 | 0.72 | PLAU (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817309-B1 | ACETAMIDE COMPOUNDS AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-12-23 | — | — | EP | claimed |