⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6518280 | 0.93 | — | — | |
| SCHEMBL21049598 | 0.87 | HTT (0.34) | — | |
| SCHEMBL21049587 | 0.85 | HTT (0.37) | — | |
| SCHEMBL21049571 | 0.85 | HTT (0.37) | — | |
| Hydrochloric Acid SCHEMBL23698477 | 0.84 | KMT2A (0.37) | — | |
| Iodide SCHEMBL16582908 | 0.84 | EEF2K (0.36) | — | |
| SCHEMBL2170722 | 0.83 | — | — | |
| Iodide SCHEMBL1251472 | 0.79 | — | — | |
| Formic Acid SCHEMBL23698414 | 0.77 | HTT (0.32) | — | |
| Acetic Acid SCHEMBL23698382 | 0.76 | CA2 (0.33) | — |
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-107623103-B | Lithium-sulfur battery cell electrode | 福特全球技术公司 | 2022-10-11 | — | — | CN | disclosed |