⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL309876 | 0.99 | — | — | |
| SCHEMBL309689 | 0.87 | CTSD (0.36) | — | |
| Hydrochloric Acid SCHEMBL309471 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL310846 | 0.84 | CTSD (0.35) | — | |
| SCHEMBL3647612 | 0.83 | CTSD (0.36) | — | |
| SCHEMBL309364 | 0.82 | CTSD (0.38) | — | |
| SCHEMBL4261647 | 0.82 | — | — | |
| SCHEMBL310831 | 0.81 | BACE1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL309718 | 0.81 | BACE1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL309997 | 0.78 | BACE1 (0.40) | — |
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 |
| EP-2303857-A1 | CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2011-04-06 | — | — | EP | disclosed |
| US-20100056490-A1 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2010-03-04 | — | — | US | disclosed |
| WO-2010003976-A1 | CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2010-01-14 | — | — | WO | disclosed |