⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6595766 | 1.00 | — | — | |
| SCHEMBL26929515 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL11065592 | 0.83 | — | — | |
| SCHEMBL11063317 | 0.81 | — | — | |
| SCHEMBL22493558 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL22493553 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL22493530 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL22493524 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL22493544 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL22493529 | 0.79 | TSHR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3456724-B1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYST COMPOSITION CONTAINING SAME | LG CHEMICAL LTD (KR) | 2020-07-29 | — | — | EP | disclosed |