⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18672370 | 0.85 | — | — | |
| SCHEMBL21071157 | 0.81 | — | — | |
| SCHEMBL19428353 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL6860635 | 0.80 | — | — | |
| SCHEMBL23783686 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL10707428 | 0.79 | — | — | |
| SCHEMBL7132326 | 0.76 | — | — | |
| SCHEMBL19432257 | 0.76 | CHRNA7 (0.31) | — | |
| SCHEMBL1727261 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL22796362 | 0.75 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7041688-B2 | E. g., 2',3',4',5,5',6,7,8,9,10-decahydro-2-(2-pyrid-3-yl-ethanediylidene-),5'-(2,2,2-trifluoroethyl)-spiro(6,9-methanobenzocyclooctene-11,3'-1,2,5-thiadiazole-1',1'-dioxide; inhibitors of gamma-secretase to modulate the processing of amyloid precursor protein (APP) | MERCK SHARP & DOHME LT.D. (GB) | 2006-05-09 | — | — | US | disclosed |
| US-20050215602-A1 | Alkynly-substituted spirocyclic sulfamides for the treatment of alzheimer's disease | MERCK SHARP & DOHME LTD. (GB) | 2005-09-29 | — | — | US | disclosed |