⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL28234611 | 0.77 | — | — | |
| Ethane SCHEMBL20335527 | 0.77 | — | — | |
| SCHEMBL495780 | 0.76 | — | — | |
| Fluoromethane SCHEMBL28308915 | 0.71 | — | — | |
| Methane SCHEMBL25414241 | 0.68 | — | — | |
| Magnesium SCHEMBL31150183 | 0.68 | — | — | |
| SCHEMBL1246904 | 0.66 | — | — | |
| SCHEMBL178 | 0.66 | — | — | |
| SCHEMBL1072 | 0.62 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL22092413 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021086039-A1 | MODIFIER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND PREPARATION METHOD THEREFOR | 주식회사 엘지화학 | 2021-05-06 | — | — | WO | disclosed |
| WO-2020130741-A1 | METHOD FOR PREPARING MODIFIED CONJUGATED DIENE-BASED POLYMER | 주식회사 엘지화학 | 2020-06-25 | — | — | WO | disclosed |
| WO-2020130738-A1 | MODIFIED CONJUGATED DIENE-BASED POLYMER AND PREPARATION METHOD THEREFOR | 주식회사 엘지화학 | 2020-06-25 | — | — | WO | disclosed |
| WO-2020130740-A1 | MODIFIED CONJUGATED DIENE-BASED POLYMER AND RUBBER COMPOSITION COMPRISING SAME | 주식회사 엘지화학 | 2020-06-25 | — | — | WO | disclosed |