⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29410068 | 0.82 | — | — | |
| SCHEMBL29353216 | 0.82 | — | — | |
| SCHEMBL1616068 | 0.82 | — | — | |
| SCHEMBL636147 | 0.82 | — | — | |
| SCHEMBL2888182 | 0.67 | — | — | |
| SCHEMBL3239520 | 0.67 | — | — | |
| SCHEMBL5534257 | 0.67 | — | — | |
| SCHEMBL6414976 | 0.67 | — | — | |
| SCHEMBL2515532 | 0.67 | — | — | |
| SCHEMBL1414499 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119909609-A | Device and method for preparing hydrogen by catalyzing light alkane by ternary liquid metal based on electromagnetic induction | 大连理工大学 | 2025-05-02 | — | — | CN | claimed |
| CN-119909609-A | Device and method for preparing hydrogen by catalyzing light alkane by ternary liquid metal based on electromagnetic induction | 大连理工大学 | 2025-05-02 | — | — | CN | disclosed |
| CN-119909609-A | Device and method for preparing hydrogen by catalyzing light alkane by ternary liquid metal based on electromagnetic induction | 大连理工大学 | 2025-05-02 | — | — | CN | disclosed |