⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19242477 | 1.00 | — | — | |
| SCHEMBL23656140 | 1.00 | — | — | |
| SCHEMBL20709184 | 0.98 | — | — | |
| SCHEMBL20901516 | 0.98 | — | — | |
| SCHEMBL20060325 | 0.98 | — | — | |
| SCHEMBL19263478 | 0.98 | — | — | |
| SCHEMBL19263480 | 0.95 | — | — | |
| SCHEMBL19263497 | 0.95 | — | — | |
| SCHEMBL18867085 | 0.84 | — | — | |
| SCHEMBL5502241 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3413895-B1 | C5-C6-OXACYLIC FUSED IMINOTHIADIAZINE DIOXIDE COMPOUNDS BEARING AN ETHER LINKER AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-07-21 | — | — | EP | disclosed |
| WO-2017139210-A1 | C5-C6-OXACYLIC FUSED IMINOTHIADIAZINE DIOXIDE COMPOUNDS BEARING AN ETHER LINKER AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-08-17 | — | — | WO | disclosed |