⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1369679 | 1.00 | — | — | |
| SCHEMBL1366621 | 0.90 | KCNA5 (0.31) | — | |
| SCHEMBL1369680 | 0.90 | — | — | |
| SCHEMBL1368284 | 0.87 | — | — | |
| SCHEMBL1367453 | 0.82 | CYP3A4 (0.36) | — | |
| SCHEMBL1367884 | 0.81 | HCRTR1 (0.33) | — | |
| SCHEMBL14450937 | 0.81 | — | — | |
| SCHEMBL1368262 | 0.81 | TAAR1 (0.34) | — | |
| SCHEMBL1368340 | 0.81 | CYP11B1 (0.34) | — | |
| SCHEMBL1370075 | 0.81 | KCNA5 (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 3 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 |
| 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 |