⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7092395 | 1.00 | — | — | |
| SCHEMBL217376 | 1.00 | — | — | |
| SCHEMBL119292 | 0.90 | — | — | |
| SCHEMBL416908 | 0.88 | — | — | |
| SCHEMBL358718 | 0.78 | — | — | |
| SCHEMBL10992326 | 0.69 | — | — | |
| SCHEMBL2328904 | 0.65 | — | — | |
| SCHEMBL385765 | 0.61 | — | — | |
| SCHEMBL5637974 | 0.61 | — | — | |
| SCHEMBL3375280 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6407094-B1 | 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | claimed |