⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16813532 | 0.98 | — | — | |
| SCHEMBL16813480 | 0.93 | — | — | |
| SCHEMBL16813916 | 0.90 | — | — | |
| SCHEMBL16813195 | 0.88 | KDM5A (0.30) | — | |
| SCHEMBL24595711 | 0.86 | — | — | |
| SCHEMBL16389761 | 0.86 | — | — | |
| SCHEMBL16813767 | 0.86 | SLC2A1 (0.30) | — | |
| SCHEMBL16389876 | 0.86 | CHRM2 (0.31) | — | |
| SCHEMBL612245 | 0.86 | SLC2A1 (0.32) | — | |
| SCHEMBL16813344 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10066076-B1 | Method for preparing conjugated diene polymer, composition comprising the same and tire comprising the composition | LG CHEM, LTD. (KR) | 2018-09-04 | — | — | US | disclosed |
| US-20180244892-A1 | METHOD FOR PREPARING CONJUGATED DIENE POLYMER, COMPOSITION COMPRISING THE SAME AND TIRE COMPRISING THE COMPOSITION | LG CHEM, LTD. (KR) | 2018-08-30 | — | — | US | disclosed |
| US-9988515-B2 | Method for preparing conjugated diene polymer, composition comprising the same and tire comprising the composition | LG CHEM, LTD. (KR) | 2018-06-05 | — | — | US | disclosed |
| US-20150376321-A1 | METHOD FOR PREPARING CONJUGATED DIENE POLYMER, COMPOSITION COMPRISING THE SAME AND TIRE COMPRISING THE COMPOSITION | LG CHEM, LTD. (KR) | 2015-12-31 | — | — | US | disclosed |
| EP-2826793-A1 | METHOD FOR PREPARING CONJUGATED DIENE-BASED POLYMER, COMPOSITION CONTAINING POLYMER, AND TIRE COMPRISING COMPOSITION | LG Chem, Ltd. (KR) | 2015-01-21 | — | — | EP | disclosed |