⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23430165 | 0.61 | — | — | |
| SCHEMBL21498583 | 0.57 | — | — | |
| SCHEMBL64228 | 0.52 | — | — | |
| SCHEMBL13545949 | 0.52 | — | — | |
| SCHEMBL256063 | 0.49 | — | — | |
| Water SCHEMBL11399021 | 0.49 | — | — | |
| Ammonia Solution, Strong SCHEMBL901105 | 0.49 | — | — | |
| SCHEMBL256748 | 0.46 | — | — | |
| SCHEMBL15866470 | 0.46 | — | — | |
| SCHEMBL24027418 | 0.44 | — | — |
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-2022008283-A1 | REAGENTS FOR THE POLYFLUOROALKYLTHIOLATION OF ORGANIC COMPOUNDS AND METHOD FOR PRODUCTION THEREOF | UNIVERSITAT ROVIRA I VIRGILI (ES) | 2022-01-13 | — | — | WO | disclosed |