⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28649338 | 0.75 | — | — | |
| SCHEMBL8025791 | 0.71 | — | — | |
| SCHEMBL27489046 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL2489037 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL6339136 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL10373794 | 0.67 | — | — | |
| SCHEMBL9766287 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL27726377 | 0.65 | — | — | |
| SCHEMBL10573425 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL6528896 | 0.64 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2596785-A1 | N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors | Johns Hopkins University School of Medicine (US) | 2013-05-29 | — | — | EP | disclosed |
| EP-2586433-A1 | N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors | Johns Hopkins University School of Medicine (US) | 2013-05-01 | — | — | EP | disclosed |
| EP-2586434-A1 | N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors | Johns Hopkins University School of Medicine (US) | 2013-05-01 | — | — | EP | disclosed |