⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9474805 | 1.00 | — | — | |
| SCHEMBL9475316 | 0.87 | — | — | |
| SCHEMBL20067148 | 0.84 | — | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL30480961 | 0.82 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL139789 | 0.82 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL26048343 | 0.82 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL2382771 | 0.82 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL220202 | 0.82 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL26048324 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL21853243 | 0.81 | — | — |
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-20170260124-A1 | NO- AND H2S- RELEASING COMPOUNDS | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK | 2017-09-14 | — | — | US | disclosed |
| US-9688607-B2 | No- and H2S-releasing compounds | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2017-06-27 | — | — | US | disclosed |
| US-20170174651-A1 | Method of Priming Plants Against Abiotic Stress Factors | CYPRUS UNIVERSITY OF TECHNOLOGY (CY) | 2017-06-22 | — | — | US | disclosed |