⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL107704 | 0.69 | — | — | |
| SCHEMBL15149695 | 0.67 | — | — | |
| SCHEMBL15755135 | 0.67 | — | — | |
| SCHEMBL4107663 | 0.67 | — | — | |
| SCHEMBL29865798 | 0.64 | — | — | |
| SCHEMBL11066337 | 0.63 | — | — | |
| SCHEMBL8427781 | 0.62 | — | — | |
| SCHEMBL14919823 | 0.62 | — | — | |
| SCHEMBL6524981 | 0.61 | — | — | |
| SCHEMBL11601251 | 0.60 | — | — |
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-9156862-B2 | Silylated azulenyl nitrone spin traps as chromotropic superoxide detectors | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2015-10-13 | — | — | US | disclosed |
| US-20140296184-A1 | SILYLATED AZULENYL NITRONE SPIN TRAPS AS CHROMOTROPIC SUPEROXIDE DETECTORS | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES | 2014-10-02 | — | — | US | disclosed |
| WO-2013067084-A1 | SILYLATED AZULENYL NITRONE SPIN TRAPS AS CHROMOTROPIC SUPEROXIDE DETECTORS | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2013-05-10 | — | — | WO | disclosed |