⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263811 | 0.96 | — | — | |
| SCHEMBL263809 | 0.96 | — | — | |
| SCHEMBL29183234 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL31057910 | 0.93 | — | — | |
| SCHEMBL6261193 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL507605 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL508858 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL31606748 | 0.93 | — | — | |
| Bromide SCHEMBL29000474 | 0.93 | — | — | |
| Water SCHEMBL5014873 | 0.93 | — | — |
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-115785012-A | Method for preparing HMX two-dimensional crystal by high-nitrogen framework induction | 西北工业大学 | 2023-03-14 | — | — | CN | disclosed |