⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5394762 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL5388073 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL5394737 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL7251889 | 0.73 | ANPEP (0.34) | — | |
| SCHEMBL7253198 | 0.73 | ANPEP (0.31) | — | |
| SCHEMBL7253878 | 0.73 | FDPS (0.31) | — | |
| SCHEMBL7255156 | 0.72 | USP2 (0.33) | — | |
| SCHEMBL5386048 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL7255452 | 0.70 | GAA (0.30) | — | |
| SCHEMBL7420848 | 0.68 | — | — |
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-6545022-B1 | Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders | PFIZER INC. | 2003-04-08 | — | — | US | disclosed |