⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21020695 | 0.82 | — | — | |
| SCHEMBL21022178 | 0.82 | HTT (0.31) | — | |
| SCHEMBL20076548 | 0.79 | POLB (0.34) | — | |
| SCHEMBL21021086 | 0.79 | SLC1A3 (0.32) | — | |
| SCHEMBL21020662 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL20076805 | 0.77 | SLC1A3 (0.30) | — | |
| SCHEMBL21021115 | 0.77 | IDH1 (0.30) | — | |
| SCHEMBL21020723 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL20076742 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL21020238 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3283459-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2019-05-22 | — | — | EP | disclosed |