⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26256299 | 0.70 | — | — | |
| SCHEMBL26256307 | 0.67 | — | — | |
| SCHEMBL21896696 | 0.67 | — | — | |
| SCHEMBL26256301 | 0.65 | — | — | |
| SCHEMBL23065596 | 0.64 | — | — | |
| SCHEMBL92901 | 0.64 | — | — | |
| SCHEMBL22269148 | 0.64 | — | — | |
| SCHEMBL21896435 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL14955465 | 0.63 | — | — | |
| SCHEMBL12274522 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10556976-B2 | Catalyst composition for preparing conjugated diene-based polymer and conjugated diene-based polymer preparing using the same | LG CHEM, LTD. (KR) | 2020-02-11 | — | — | US | disclosed |
| US-20180037675-A1 | CATALYST COMPOSITION FOR PREPARING CONJUGATED DIENE-BASED POLYMER AND CONJUGATED DIENE-BASED POLYMER PREPARING USING THE SAME | LG CHEM, LTD. (KR) | 2018-02-08 | — | — | US | disclosed |