⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12285457 | 0.78 | — | — | |
| SCHEMBL19202264 | 0.77 | — | — | |
| SCHEMBL19197524 | 0.77 | — | — | |
| SCHEMBL4498987 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL19202311 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL19161113 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL19202333 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL19136458 | 0.71 | MAOA (0.30) | — | |
| Hydrochloric Acid SCHEMBL19136456 | 0.71 | MAOA (0.30) | — | |
| SCHEMBL1704488 | 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-2017132014-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-08-03 | — | — | WO | disclosed |