⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1908508 | 1.00 | — | — | |
| SCHEMBL1908514 | 0.78 | — | — | |
| SCHEMBL1908509 | 0.77 | — | — | |
| SCHEMBL1908512 | 0.74 | — | — | |
| SCHEMBL10921587 | 0.72 | HSD17B10 (0.31) | — | |
| SCHEMBL16448441 | 0.70 | MAPK1 (0.32) | — | |
| SCHEMBL24835595 | 0.70 | — | — | |
| SCHEMBL10921596 | 0.69 | — | — | |
| SCHEMBL29690528 | 0.68 | — | — | |
| SCHEMBL25101458 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093406-B2 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2012-01-10 | — | — | US | disclosed |
| US-8093406-B2 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2012-01-10 | — | — | US | disclosed |
| US-20100056490-A1 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2010-03-04 | — | — | US | disclosed |
| US-20100056490-A1 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2010-03-04 | — | — | US | disclosed |