⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2201819 | 0.80 | MEN1 (0.44) | — | |
| SCHEMBL14938318 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL4725069 | 0.75 | — | — | |
| SCHEMBL6697186 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL911033 | 0.75 | — | — | |
| SCHEMBL6557169 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL21693833 | 0.74 | ACHE (0.40) | — | |
| SCHEMBL11452392 | 0.74 | — | — | |
| SCHEMBL7936990 | 0.74 | — | — | |
| Butanone SCHEMBL17054689 | 0.73 | ALDH1A1 (0.46) | — |
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-2016087593-A1 | NOVEL FUNGICIDAL QUINOLINYLAMIDINES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | WO | disclosed |