⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1102015 | 0.73 | — | — | |
| SCHEMBL4053876 | 0.69 | — | — | |
| SCHEMBL9963231 | 0.69 | CYP19A1 (0.33) | — | |
| SCHEMBL11983415 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL6996308 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL9516898 | 0.57 | ALDH1A1 (0.62) | — | |
| SCHEMBL24099088 | 0.55 | — | — | |
| Isopropyl Alcohol SCHEMBL14060862 | 0.53 | — | — | |
| SCHEMBL11227098 | 0.53 | — | — | |
| Isopropyl Alcohol SCHEMBL19205891 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1781635-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1781635-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006015159-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |