⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14733079 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL14733082 | 0.82 | — | — | |
| SCHEMBL14733122 | 0.77 | — | — | |
| SCHEMBL14733119 | 0.75 | — | — | |
| SCHEMBL14733120 | 0.68 | — | — | |
| SCHEMBL2265552 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL10952518 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL10952511 | 0.62 | ALDH1A1 (0.52) | — | |
| SCHEMBL5069304 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL9452595 | 0.62 | TSHR (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8664247-B2 | Acyclic organonitro compounds for use in treating cancer | RADIORX, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-8664247-B2 | Acyclic organonitro compounds for use in treating cancer | RADIORX, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20130053418-A1 | ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2013-02-28 | — | — | US | disclosed |
| US-20130053418-A1 | ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2013-02-28 | — | — | US | disclosed |