⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15320579 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL38651084 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL10635589 | 0.70 | ALDH1A1 (0.45) | — | |
| SCHEMBL31121930 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL16875634 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL21627975 | 0.66 | FFAR3 (0.35) | — | |
| SCHEMBL4120577 | 0.65 | NSD2 (0.39) | — | |
| Bicarbonate SCHEMBL15320130 | 0.64 | MAPK1 (0.32) | — | |
| SCHEMBL289295 | 0.63 | — | — | |
| SCHEMBL23297233 | 0.61 | ALDH1A1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230026348-A1 | NITROXYLATED PROTEINS AND METHODS FOR THE USE THEREOF | SCHINDLER, WILLIAM | 2023-01-26 | — | — | US | disclosed |
| US-11359004-B2 | Succinimide-activated nitroxyl compounds and methods for the use thereof for nitroxylation of proteins | Schindler, William (US) | 2022-06-14 | — | — | US | disclosed |
| US-20190127445-A1 | SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS | SCHINDLER, WILLIAM | 2019-05-02 | — | — | US | disclosed |
| EP-2834329-B1 | SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS | SCHINDLER WILLIAM (US) | 2018-10-17 | — | — | EP | disclosed |
| US-20150094267-A1 | SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS | SANGART, INC. | 2015-04-02 | — | — | US | disclosed |
| EP-2834329-A1 | SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS | Sangart, Inc. (US) | 2015-02-11 | — | — | EP | disclosed |
| WO-2013151776-A1 | SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS | SANGART, INC. (US) | 2013-10-10 | — | — | WO | disclosed |