⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23465924 | 0.86 | — | — | |
| SCHEMBL25102097 | 0.86 | — | — | |
| SCHEMBL23159563 | 0.84 | GRM5 (0.34) | — | |
| SCHEMBL22580243 | 0.80 | — | — | |
| SCHEMBL22332361 | 0.80 | — | — | |
| SCHEMBL24221023 | 0.77 | — | — | |
| SCHEMBL23023279 | 0.77 | CYP2D6 (0.47) | — | |
| SCHEMBL20626096 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL24775345 | 0.75 | — | — | |
| SCHEMBL19440671 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2773351-B1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME (US) | 2017-08-23 | — | — | EP | disclosed |