⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15870591 | 0.69 | ABCG2 (0.30) | — | |
| SCHEMBL6242624 | 0.53 | — | — | |
| SCHEMBL7944659 | 0.52 | — | — | |
| SCHEMBL15372425 | 0.49 | — | — | |
| SCHEMBL14163376 | 0.48 | — | — | |
| SCHEMBL12197617 | 0.43 | — | — | |
| SCHEMBL15094440 | 0.41 | — | — | |
| SCHEMBL27607701 | 0.40 | — | — | |
| Potassium SCHEMBL31620483 | 0.37 | — | — | |
| SCHEMBL22412782 | 0.30 | — | — |
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 |