⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918138 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL3120402 | 0.79 | — | — | |
| SCHEMBL8409243 | 0.74 | — | — | |
| SCHEMBL8409483 | 0.74 | — | — | |
| SCHEMBL9921594 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL10157574 | 0.70 | GSR (0.48) | — | |
| SCHEMBL10157494 | 0.70 | GSR (0.39) | — | |
| SCHEMBL10158072 | 0.70 | GSR (0.48) | — | |
| SCHEMBL10157528 | 0.69 | GSR (0.38) | — | |
| SCHEMBL10158062 | 0.69 | GSR (0.38) | — |
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 3 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-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 |