⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18011906 | 0.89 | — | — | |
| SCHEMBL1313262 | 0.89 | — | — | |
| SCHEMBL11965744 | 0.89 | — | — | |
| Water SCHEMBL28081772 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL11735135 | 0.86 | — | — | |
| SCHEMBL12840 | 0.76 | — | — | |
| SCHEMBL178378 | 0.76 | — | — | |
| SCHEMBL170737 | 0.76 | — | — | |
| SCHEMBL13486887 | 0.74 | — | — | |
| Fluoride SCHEMBL28553579 | 0.74 | KMT2A (0.39) | — |
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-115959955-B | CL-20-based aluminum-containing explosive recycling process | 西安近代化学研究所 | 2024-05-10 | — | — | CN | disclosed |