⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7880847 | 0.92 | SLC6A2 (0.31) | — | |
| SCHEMBL7873245 | 0.90 | — | — | |
| SCHEMBL7882398 | 0.89 | — | — | |
| SCHEMBL7873759 | 0.84 | SCN9A (0.37) | — | |
| SCHEMBL7884605 | 0.84 | SCN9A (0.32) | — | |
| SCHEMBL7881239 | 0.84 | — | — | |
| SCHEMBL7879507 | 0.84 | RHEB (0.32) | — | |
| SCHEMBL7873426 | 0.84 | BRD4 (0.30) | — | |
| SCHEMBL7882054 | 0.84 | SCN9A (0.37) | — | |
| SCHEMBL7881311 | 0.82 | AR (0.39) | — |
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-6248772-B1 | HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS | SUMITOMO PHARMACEUTICALS CO., LTD. (JP) | 2001-06-19 | — | — | US | disclosed |
| US-6169107-B1 | USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS | SUMITOMO PHARMACEUTICAL CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-0708091-A2 | Indoloylguanidine derivatives | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1996-04-24 | — | — | EP | disclosed |