⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10051595 | 0.97 | CA1 (0.37) | — | |
| SCHEMBL10051591 | 0.97 | CA1 (0.37) | — | |
| SCHEMBL880785 | 0.94 | — | — | |
| SCHEMBL13493934 | 0.75 | — | — | |
| SCHEMBL10193798 | 0.69 | ALOX5 (0.33) | — | |
| SCHEMBL10194423 | 0.69 | ALOX5 (0.33) | — | |
| SCHEMBL13493947 | 0.69 | — | — | |
| SCHEMBL21741650 | 0.69 | — | — | |
| SCHEMBL10194047 | 0.69 | — | — | |
| SCHEMBL3814365 | 0.67 | ACHE (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120237615-A1 | PHARMACEUTICAL COMPOSITIONS OF O-NITRO COMPOUNDS | RADIORX, INC., C/O INTERWEST VENTURE PARTNERS (US) | 2012-09-20 | — | — | US | disclosed |
| EP-2433495-A1 | O-nitro compounds, pharmaceutical compositions thereof and uses thereof | ALLIANT TECHSYSTEMS INC. (US) | 2012-03-28 | — | — | EP | disclosed |