⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22245676 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL23552104 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL7980233 | 0.72 | — | — | |
| SCHEMBL6172192 | 0.71 | — | — | |
| SCHEMBL1651412 | 0.69 | — | — | |
| SCHEMBL27572848 | 0.67 | TSHR (0.53) | — | |
| SCHEMBL12305761 | 0.66 | — | — | |
| SCHEMBL140291 | 0.66 | — | — | |
| SCHEMBL4912971 | 0.65 | — | — | |
| SCHEMBL1928678 | 0.65 | — | — |
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-8426597-B2 | Nitrate derivatives of cilostazol for the treatment of vascular and metabolic diseases | CARDIOLYNX AG (CH) | 2013-04-23 | — | — | US | disclosed |
| EP-2367803-A1 | NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES | Cardiolynx AG (CH) | 2011-09-28 | — | — | EP | disclosed |
| US-20110230520-A1 | NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES | CARDIOLYNX AG (CH) | 2011-09-22 | — | — | US | disclosed |
| WO-2010063724-A1 | NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES | CARDIOLYNX AG (CH) | 2010-06-10 | — | — | WO | disclosed |
| EP-2194048-A1 | Nitrate esters for the treatment of vascular and metabolic diseases | Sartor, Dirk (DE) | 2010-06-09 | — | — | EP | disclosed |