⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25159059 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL1912678 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL23677751 | 0.72 | — | — | |
| SCHEMBL22821988 | 0.72 | — | — | |
| SCHEMBL12708253 | 0.72 | — | — | |
| SCHEMBL12315209 | 0.69 | — | — | |
| SCHEMBL22541882 | 0.69 | — | — | |
| SCHEMBL12708246 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL83939 | 0.69 | — | — | |
| 2,2-Difluoropentane SCHEMBL84483 | 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-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |