⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9947431 | 0.73 | NEK2 (0.34) | — | |
| SCHEMBL9921580 | 0.69 | NEK2 (0.38) | — | |
| SCHEMBL9918125 | 0.68 | CYP2D6 (0.32) | — | |
| SCHEMBL25475858 | 0.68 | CRHBP (0.50) | — | |
| SCHEMBL14911002 | 0.65 | — | — | |
| SCHEMBL9918124 | 0.62 | CYP2D6 (0.37) | — | |
| SCHEMBL3285840 | 0.61 | NLRP3 (0.33) | — | |
| SCHEMBL28392433 | 0.61 | NLRP3 (0.33) | — | |
| SCHEMBL7248680 | 0.60 | GAA (0.33) | — | |
| SCHEMBL436830 | 0.60 | GAA (0.33) | — |
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 7 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-9468625-B2 | Organonitro thioether compounds and medical uses thereof | EPICENTRX, INC. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20160081981-A1 | ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF | RADIORX, INC. | 2016-03-24 | — | — | US | disclosed |
| US-9139519-B2 | Organonitro thioether compounds and medical uses thereof | EPICENTRX, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-20140349988-A1 | ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF | RADIORX, INC. (US) | 2014-11-27 | — | — | US | disclosed |
| US-20140308260-A1 | METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS | EPICENTRX, INC. | 2014-10-16 | — | — | US | disclosed |
| US-20120149678-A1 | Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto | ORONSKY BRYAN T (US) | 2012-06-14 | — | — | US | disclosed |