⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14099537 | 0.70 | — | — | |
| SCHEMBL12721436 | 0.68 | — | — | |
| SCHEMBL13195857 | 0.68 | — | — | |
| SCHEMBL21151402 | 0.62 | — | — | |
| SCHEMBL23455753 | 0.61 | — | — | |
| SCHEMBL9003787 | 0.61 | — | — | |
| SCHEMBL9340047 | 0.61 | — | — | |
| SCHEMBL13570 | 0.60 | — | — | |
| SCHEMBL22795307 | 0.59 | — | — | |
| SCHEMBL8093135 | 0.59 | — | — |
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-2011044184-A1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |