⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16520322 | 0.74 | — | — | |
| SCHEMBL18976330 | 0.69 | — | — | |
| SCHEMBL22482963 | 0.67 | — | — | |
| SCHEMBL21981072 | 0.65 | — | — | |
| SCHEMBL24793027 | 0.64 | — | — | |
| SCHEMBL2005331 | 0.63 | PTPN1 (0.31) | — | |
| SCHEMBL2005328 | 0.63 | PTPN1 (0.31) | — | |
| SCHEMBL7045168 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL7045172 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL7046628 | 0.62 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2428207-A1 | Alpha-2B adrenergic receptor agonist and serotonin-norepinephrine reuptake inhibitor compositions for treating chronic pain | Allergan, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |