⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20076558 | 0.81 | MAPT (0.45) | — | |
| SCHEMBL14293887 | 0.80 | — | — | |
| SCHEMBL20177191 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL23600870 | 0.79 | — | — | |
| SCHEMBL21539502 | 0.75 | — | — | |
| SCHEMBL9995016 | 0.75 | — | — | |
| SCHEMBL19336379 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL18873845 | 0.74 | — | — | |
| SCHEMBL13370061 | 0.72 | — | — | |
| SCHEMBL1469793 | 0.71 | — | — |
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-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |