⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17290398 | 1.00 | — | — | |
| SCHEMBL17290468 | 0.76 | LMNA (0.36) | — | |
| SCHEMBL17290466 | 0.76 | LMNA (0.36) | — | |
| SCHEMBL17290725 | 0.74 | — | — | |
| SCHEMBL17290726 | 0.74 | — | — | |
| SCHEMBL17290729 | 0.74 | MIF (0.34) | — | |
| SCHEMBL17290694 | 0.73 | PDE10A (0.31) | — | |
| SCHEMBL17290696 | 0.73 | PDE10A (0.31) | — | |
| SCHEMBL17290390 | 0.72 | — | — | |
| SCHEMBL17290254 | 0.70 | CSF1R (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9682938-B2 | Pyrazolone derivatives as nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| EP-3148972-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183839-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | WO | disclosed |
| US-20150344437-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | THE JOHNS HOPKINS UNIVERSITY | 2015-12-03 | — | — | US | disclosed |