⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6535964 | 0.73 | — | — | |
| SCHEMBL91326 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30777456 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL6255662 | 0.67 | CYP2D6 (0.45) | — | |
| SCHEMBL1275889 | 0.67 | CYP2D6 (0.65) | — | |
| Acetone SCHEMBL2672218 | 0.67 | CYP2D6 (0.50) | — | |
| SCHEMBL6850946 | 0.67 | CYP2D6 (0.65) | — | |
| SCHEMBL2952595 | 0.67 | CYP2D6 (0.50) | — | |
| SCHEMBL2952594 | 0.67 | CYP2D6 (0.50) | — | |
| SCHEMBL7161352 | 0.67 | CNR2 (0.58) | — |
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-1299349-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002002505-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-10 | — | — | WO | disclosed |