⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11141262 | 0.79 | — | — | |
| SCHEMBL7064239 | 0.69 | — | — | |
| SCHEMBL4595475 | 0.69 | — | — | |
| SCHEMBL19402611 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL8570920 | 0.67 | TSHR (0.64) | — | |
| SCHEMBL109553 | 0.67 | — | — | |
| SCHEMBL10897289 | 0.67 | — | — | |
| Water SCHEMBL11043959 | 0.67 | TSHR (0.44) | — | |
| Trimethylammonium SCHEMBL9462043 | 0.65 | — | — | |
| SCHEMBL19133019 | 0.62 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| US-20230163413-A1 | SEPARATOR FOR ELECTROCHEMICAL DEVICE AND METHOD FOR MANUFACTURING SAME | LG ENERGY SOLUTION, LTD. (KR) | 2023-05-25 | — | — | US | disclosed |