⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1750207 | 0.81 | — | — | |
| SCHEMBL11289226 | 0.79 | ADH1C (0.35) | — | |
| SCHEMBL27982415 | 0.79 | — | — | |
| SCHEMBL1524904 | 0.77 | — | — | |
| SCHEMBL1416614 | 0.77 | — | — | |
| SCHEMBL27923886 | 0.77 | ADH1C (0.34) | — | |
| SCHEMBL3326949 | 0.77 | — | — | |
| SCHEMBL1274837 | 0.75 | — | — | |
| SCHEMBL27476796 | 0.74 | — | — | |
| SCHEMBL11422808 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929538-A1 | O?2 -ARYLATED OR O?2 -GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O?2 -SUBSTITUTED 1- (2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES | THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998013358-A1 | O2-ARYLATED OR O2-GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O2-SUBSTITUTED 1-[(2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES | THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-04-02 | — | — | WO | disclosed |