⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21320283 | 0.79 | — | — | |
| SCHEMBL22049904 | 0.73 | NFE2L2 (0.42) | — | |
| SCHEMBL14479840 | 0.72 | — | — | |
| SCHEMBL13821140 | 0.72 | — | — | |
| SCHEMBL6410670 | 0.72 | — | — | |
| SCHEMBL14581981 | 0.72 | — | — | |
| SCHEMBL18827534 | 0.70 | — | — | |
| SCHEMBL12632085 | 0.70 | — | — | |
| SCHEMBL17323240 | 0.70 | TRPA1 (0.32) | — | |
| SCHEMBL12643479 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014100166-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014100206-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-06-26 | — | — | WO | disclosed |