⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21626519 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL22236482 | 0.61 | — | — | |
| SCHEMBL22780803 | 0.61 | — | — | |
| SCHEMBL18571575 | 0.60 | — | — | |
| SCHEMBL20614491 | 0.60 | — | — | |
| SCHEMBL1753488 | 0.60 | — | — | |
| SCHEMBL24922204 | 0.58 | — | — | |
| SCHEMBL3266037 | 0.58 | — | — | |
| SCHEMBL26788461 | 0.58 | — | — | |
| SCHEMBL22015666 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11660286-B2 | Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products | EPICENTRX, INC. (US) | 2023-05-30 | — | — | US | disclosed |
| 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 |
| US-20200022952-A1 | METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS | EPICENTRX, INC. | 2020-01-23 | — | — | US | disclosed |