⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL850375 | 0.77 | — | — | |
| SCHEMBL181475 | 0.77 | — | — | |
| SCHEMBL10529533 | 0.75 | — | — | |
| SCHEMBL808892 | 0.74 | — | — | |
| Water SCHEMBL1348678 | 0.71 | — | — | |
| Ethylene Glycol SCHEMBL7556734 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL28561462 | 0.67 | — | — | |
| SCHEMBL14656829 | 0.67 | — | — | |
| SCHEMBL28705862 | 0.64 | — | — | |
| SCHEMBL11129024 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1358160-A1 | AMINAL DIONES AS POTASSIUM CHANNEL OPENERS | Abbott Laboratories (US) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002062761-A1 | AMINAL DIONES AS POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2002-08-15 | — | — | WO | disclosed |