⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17920103 | 1.00 | — | — | |
| SCHEMBL26242387 | 1.00 | — | — | |
| SCHEMBL22248861 | 1.00 | — | — | |
| SCHEMBL22313289 | 1.00 | — | — | |
| SCHEMBL1794387 | 1.00 | — | — | |
| SCHEMBL12335126 | 1.00 | — | — | |
| SCHEMBL17919858 | 0.92 | — | — | |
| SCHEMBL17920243 | 0.92 | — | — | |
| SCHEMBL25085341 | 0.81 | — | — | |
| SCHEMBL19571064 | 0.81 | — | — |
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-9221839-B2 | C5-C6 oxacyclic-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-12-29 | — | — | US | disclosed |
| US-20140023668-A1 | C5-C6 OXACYCLIC-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2014-01-23 | — | — | US | disclosed |
| US-20070135428-A1 | LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-14 | — | — | US | disclosed |
| US-7205318-B2 | Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-17 | — | — | US | disclosed |