⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20523716 | 0.76 | CYP1A2 (0.45) | — | |
| SCHEMBL31076066 | 0.73 | CA2 (0.37) | — | |
| SCHEMBL4034762 | 0.72 | TRPA1 (0.33) | — | |
| SCHEMBL18097710 | 0.71 | KDM1A (0.35) | — | |
| SCHEMBL23629171 | 0.70 | HPGD (0.35) | — | |
| SCHEMBL30986323 | 0.70 | HPGD (0.35) | — | |
| SCHEMBL7107363 | 0.70 | CA12 (0.38) | — | |
| SCHEMBL14267837 | 0.68 | MAPT (0.36) | — | |
| SCHEMBL4908117 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL9464895 | 0.67 | CES2 (0.37) | — |
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-2018183601-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-10-04 | — | — | WO | disclosed |