⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19242580 | 0.73 | GRIN2D (0.34) | — | |
| SCHEMBL13300230 | 0.63 | GRIN2D (0.37) | — | |
| SCHEMBL21556370 | 0.62 | — | — | |
| SCHEMBL9498766 | 0.61 | HTR2C (0.39) | — | |
| SCHEMBL10831129 | 0.61 | — | — | |
| SCHEMBL22117562 | 0.61 | — | — | |
| SCHEMBL13165400 | 0.61 | HTR2C (0.39) | — | |
| SCHEMBL12826395 | 0.61 | HTR2A (0.36) | — | |
| SCHEMBL23655643 | 0.59 | HTR2C (0.35) | — | |
| SCHEMBL12826264 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |