⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5023625 | 0.76 | — | — | |
| SCHEMBL6454071 | 0.74 | — | — | |
| SCHEMBL1897645 | 0.72 | — | — | |
| SCHEMBL2356386 | 0.70 | — | — | |
| SCHEMBL8767899 | 0.70 | — | — | |
| SCHEMBL4241008 | 0.70 | — | — | |
| SCHEMBL2790087 | 0.70 | — | — | |
| SCHEMBL9395923 | 0.70 | — | — | |
| SCHEMBL4111608 | 0.70 | — | — | |
| SCHEMBL4111613 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214646-A1 | Novel Nsaids Possessing a Nitric Oxide Donor Diazen-1-Ium-1,2-Diolate Moiety | UNIVERSITY OF ALBERTA (CA) | 2008-09-04 | — | — | US | disclosed |