⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197824 | 0.67 | TSHR (0.33) | — | |
| Hydrogen Sulfide SCHEMBL28090943 | 0.67 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL20896 | 0.64 | TSHR (0.31) | — | |
| Fluoride Ion SCHEMBL1260645 | 0.64 | TSHR (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL4552701 | 0.64 | TSHR (0.31) | — | |
| Fluoride Ion SCHEMBL33106 | 0.64 | TSHR (0.31) | — | |
| Iodide SCHEMBL2796494 | 0.64 | TSHR (0.31) | — | |
| Lithium Ion SCHEMBL2504315 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL5327324 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL596385 | 0.64 | TSHR (0.31) | — |
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-116130632-A | Lithium metal anode material and preparation method and application thereof | 武汉船用电力推进装置研究所(中国船舶集团有限公司第七一二研究所) | 2023-05-16 | — | — | CN | claimed |
| CN-116130632-A | Lithium metal anode material and preparation method and application thereof | 武汉船用电力推进装置研究所(中国船舶集团有限公司第七一二研究所) | 2023-05-16 | — | — | CN | disclosed |