⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16174020 | 0.81 | — | — | |
| SCHEMBL254880 | 0.78 | — | — | |
| SCHEMBL9921594 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL254925 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL14327293 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL9947426 | 0.73 | NLRP3 (0.35) | — | |
| SCHEMBL11802056 | 0.71 | — | — | |
| SCHEMBL27208021 | 0.71 | — | — | |
| SCHEMBL11801861 | 0.70 | — | — | |
| SCHEMBL9918138 | 0.70 | ALDH1A1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |