⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24455170 | 0.81 | — | — | |
| SCHEMBL24455105 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL24455159 | 0.78 | CYP1A2 (0.30) | — | |
| SCHEMBL28667904 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL10061283 | 0.67 | CYP3A4 (0.52) | — | |
| SCHEMBL24455168 | 0.64 | GRIA1 (0.39) | — | |
| SCHEMBL21298012 | 0.61 | — | — | |
| SCHEMBL22001780 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL13635976 | 0.60 | TAAR1 (0.37) | — | |
| SCHEMBL15417588 | 0.59 | NPC1 (0.50) | — |
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-2022109362-A1 | FUNGICIDAL ARYL AMIDINES | CORTEVA AGRISCIENCE LLC (US) | 2022-05-27 | — | — | WO | disclosed |