⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32665676 | 1.00 | — | — | |
| Potassium SCHEMBL32665672 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL32665670 | 0.98 | — | — | |
| SCHEMBL28690615 | 0.76 | PKM (0.30) | — | |
| SCHEMBL29091845 | 0.75 | — | — | |
| SCHEMBL29091847 | 0.75 | L3MBTL1 (0.34) | — | |
| SCHEMBL28848246 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28848244 | 0.71 | LMNA (0.34) | — | |
| SCHEMBL29191069 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL31406156 | 0.60 | SMN1; SMN2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-121378138-A | 4-Methoxy-3, 5-binitro-1-trinitromethyl-pyrazole and energetic ion salt and preparation method thereof | 南京理工大学 | 2026-01-23 | — | — | CN | disclosed |