⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25839233 | 0.73 | — | — | |
| SCHEMBL13195134 | 0.68 | — | — | |
| SCHEMBL13195863 | 0.64 | — | — | |
| SCHEMBL22909191 | 0.64 | — | — | |
| SCHEMBL19524893 | 0.64 | — | — | |
| SCHEMBL20282979 | 0.64 | — | — | |
| SCHEMBL25841107 | 0.64 | — | — | |
| SCHEMBL19891854 | 0.60 | — | — | |
| SCHEMBL11099 | 0.60 | — | — | |
| SCHEMBL13195857 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012138590-A1 | PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2012-10-11 | — | — | WO | disclosed |
| WO-2011044187-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |