⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL880837 | 1.00 | — | — | |
| SCHEMBL880781 | 1.00 | — | — | |
| SCHEMBL880787 | 0.73 | — | — | |
| SCHEMBL880783 | 0.60 | — | — | |
| SCHEMBL9458098 | 0.53 | — | — | |
| SCHEMBL485496 | 0.45 | — | — | |
| SCHEMBL10583055 | 0.45 | — | — | |
| SCHEMBL31132085 | 0.41 | — | — | |
| Hydrochloric Acid SCHEMBL28933251 | 0.41 | — | — | |
| SCHEMBL19114042 | 0.37 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2433495-A1 | O-nitro compounds, pharmaceutical compositions thereof and uses thereof | ALLIANT TECHSYSTEMS INC. (US) | 2012-03-28 | — | — | EP | disclosed |