⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1366620 | 0.90 | KCNA5 (0.33) | — | |
| SCHEMBL1369679 | 0.90 | — | — | |
| SCHEMBL1369683 | 0.90 | — | — | |
| SCHEMBL14450937 | 0.90 | — | — | |
| SCHEMBL1368281 | 0.87 | KCNA5 (0.31) | — | |
| SCHEMBL14450913 | 0.85 | KCNN4 (0.32) | — | |
| SCHEMBL1367454 | 0.82 | CYP3A4 (0.38) | — | |
| SCHEMBL1368259 | 0.82 | TAAR1 (0.34) | — | |
| SCHEMBL1367886 | 0.81 | HCRTR1 (0.33) | — | |
| SCHEMBL1368342 | 0.81 | GRM5 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100004229-A1 | Potassium Channel Inhibitors | MERCK SHARP & DOHME CORP. | 2010-01-07 | — | — | US | claimed |
| EP-1993551-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2008-11-26 | — | — | EP | claimed |
| WO-2007089735-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-08-09 | — | — | WO | claimed |
| US-8067607-B2 | Potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-11-29 | — | — | US | disclosed |
| US-20100004229-A1 | Potassium Channel Inhibitors | MERCK SHARP & DOHME CORP. | 2010-01-07 | — | — | US | disclosed |