⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13350957 | 0.94 | — | — | |
| SCHEMBL5033740 | 0.83 | — | — | |
| SCHEMBL18574387 | 0.73 | — | — | |
| SCHEMBL18574225 | 0.73 | — | — | |
| SCHEMBL18574227 | 0.71 | — | — | |
| SCHEMBL10846066 | 0.69 | — | — | |
| SCHEMBL18574286 | 0.69 | — | — | |
| SCHEMBL6127793 | 0.69 | — | — | |
| SCHEMBL138395 | 0.67 | — | — | |
| SCHEMBL10843305 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9914734-B2 | Cyclic energetic nitramines desensitized with linear nitramines | AEROJET ROCKETOYNE, INC. (US) | 2018-03-13 | — | — | US | disclosed |