⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17217158 | 1.00 | — | — | |
| SCHEMBL19530372 | 0.80 | — | — | |
| SCHEMBL20732800 | 0.79 | CYP2C19 (0.32) | — | |
| SCHEMBL19254983 | 0.73 | — | — | |
| SCHEMBL20732985 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL13854574 | 0.70 | — | — | |
| SCHEMBL17217892 | 0.70 | — | — | |
| SCHEMBL17215808 | 0.70 | — | — | |
| SCHEMBL17215656 | 0.69 | IDO1 (0.47) | — | |
| SCHEMBL21799398 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017132019-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-08-03 | — | — | WO | disclosed |