⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11874948 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL6123146 | 0.73 | LAP3 (0.38) | — | |
| SCHEMBL5051026 | 0.73 | — | — | |
| SCHEMBL12832580 | 0.73 | — | — | |
| SCHEMBL25403087 | 0.73 | — | — | |
| SCHEMBL25403084 | 0.73 | — | — | |
| SCHEMBL16664810 | 0.73 | — | — | |
| SCHEMBL14094679 | 0.73 | — | — | |
| SCHEMBL8200429 | 0.73 | — | — | |
| SCHEMBL23241655 | 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 |
|---|---|---|---|---|---|---|---|
| US-11008287-B2 | Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine | EPICENTRX, INC. (US) | 2021-05-18 | — | — | US | disclosed |
| US-20200157047-A1 | SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE | EPICENTRX, INC. | 2020-05-21 | — | — | US | disclosed |