⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937994 | 1.00 | — | — | |
| SCHEMBL7939022 | 1.00 | — | — | |
| SCHEMBL7938000 | 0.72 | GAA (0.32) | — | |
| SCHEMBL27250046 | 0.65 | — | — | |
| SCHEMBL1433911 | 0.62 | CYP11B2 (0.30) | — | |
| SCHEMBL13262423 | 0.61 | — | — | |
| SCHEMBL11383094 | 0.59 | — | — | |
| SCHEMBL13845901 | 0.58 | APLNR (0.32) | — | |
| SCHEMBL11140604 | 0.58 | APLNR (0.32) | — | |
| SCHEMBL50177 | 0.57 | — | — |
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-6239145-B1 | USABLE IN ACQUIRING INFORMATION ABOUT ACTIVE OXYGEN OR IN VIVO FREE RADICALS AS BIOLOGICAL IMAGES SUCH AS MAGNETIC RESONANCE IMAGES OR MAGNETOENCEPHALOGRAMS; | DAIITCHI RADIOISOTOPE LABORATORIES, LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-0995740-A1 | NOVEL NITROXYL COMPOUNDS AND DRUGS AND REAGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) | 2000-04-26 | — | — | EP | disclosed |