⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31273013 | 0.89 | ALDH1A1 (0.35) | — | |
| SCHEMBL17479374 | 0.88 | — | — | |
| SCHEMBL9823006 | 0.87 | — | — | |
| SCHEMBL3971196 | 0.87 | ALDH1A1 (0.34) | — | |
| Bromide SCHEMBL30475018 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL17795909 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL31501282 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL11812835 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL11882801 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL11667113 | 0.80 | ALDH1A1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119505962-A | Self-initiated high-power high-energy liquid fuel and preparation method thereof | 中国人民解放军军事科学院系统工程研究院 | 2025-02-25 | — | — | CN | disclosed |
| CN-119193204-A | High-energy liquid fuel system containing transition metal organic complex and preparation method thereof | 中国人民解放军军事科学院系统工程研究院 | 2024-12-27 | — | — | CN | disclosed |