⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6114222 | 0.73 | EPHX1 (0.33) | — | |
| SCHEMBL8516980 | 0.73 | TP53 (0.30) | — | |
| SCHEMBL16191190 | 0.73 | — | — | |
| SCHEMBL17132659 | 0.73 | — | — | |
| SCHEMBL1035465 | 0.71 | EPHX1 (0.38) | — | |
| SCHEMBL62320 | 0.69 | — | — | |
| SCHEMBL19451441 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29253768 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL778178 | 0.66 | FDPS (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL29231735 | 0.64 | — | — |
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 |