⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20076464 | 0.85 | — | — | |
| SCHEMBL21020939 | 0.81 | SLC9A1 (0.35) | — | |
| SCHEMBL21020523 | 0.79 | — | — | |
| SCHEMBL20076830 | 0.77 | SLC9A1 (0.34) | — | |
| SCHEMBL21020715 | 0.77 | SLC9A1 (0.45) | — | |
| SCHEMBL21021835 | 0.77 | — | — | |
| SCHEMBL21021470 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL20076360 | 0.75 | SLC9A1 (0.38) | — | |
| SCHEMBL21020851 | 0.74 | SLC6A2 (0.35) | — | |
| SCHEMBL20076404 | 0.72 | SLC9A1 (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-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |