⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8591536 | 0.89 | — | — | |
| SCHEMBL22478 | 0.89 | — | — | |
| SCHEMBL4014503 | 0.87 | — | — | |
| Methylamine SCHEMBL30023004 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL29830582 | 0.86 | — | — | |
| SCHEMBL30422789 | 0.86 | — | — | |
| Methylamine SCHEMBL3687155 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL1451644 | 0.86 | — | — | |
| SCHEMBL30509253 | 0.86 | — | — | |
| SCHEMBL951299 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022060108-A1 | LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, AND CATALYST SYSTEM COMPRISING SAME | 주식회사 엘지화학 | 2022-03-24 | — | — | WO | disclosed |