⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7503939 | 0.87 | — | — | |
| SCHEMBL2369445 | 0.87 | — | — | |
| SCHEMBL28760196 | 0.80 | — | — | |
| SCHEMBL6696358 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL1516177 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL7996503 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL7502449 | 0.68 | ESR2 (0.38) | — | |
| SCHEMBL2914988 | 0.67 | — | — | |
| SCHEMBL8635279 | 0.64 | HCAR2 (0.33) | — | |
| SCHEMBL9489849 | 0.63 | DAO (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011107494-A1 | NOVEL AROMATIC GLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND THE USE THEREOF | SANOFI (FR) | 2011-09-09 | — | — | WO | disclosed |
| EP-0673248-A1 | POTASSIUM CHANNEL ACTIVATORS FOR USE IN THERAPY | SMITHKLINE BEECHAM PLC (GB) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994013292-A1 | POTASSIUM CHANNEL ACTIVATORS FOR USE IN THERAPY | SMITHKLINE BEECHAM PLC (GB) | 1994-06-23 | — | — | WO | disclosed |