⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4395268 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4385474 | 0.97 | — | — | |
| SCHEMBL7936641 | 0.78 | — | — | |
| SCHEMBL24595847 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL8579339 | 0.63 | — | — | |
| SCHEMBL8215528 | 0.62 | — | — | |
| SCHEMBL4385089 | 0.62 | — | — | |
| SCHEMBL5087374 | 0.60 | — | — | |
| SCHEMBL8217199 | 0.59 | — | — | |
| SCHEMBL5514073 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1794170-B1 | ANSA-METALLOCENE COMPOUND AND PROCESS OF PREPARING POLYOLEFIN USING THE SAME | LG CHEMICAL LTD (KR) | 2018-01-10 | — | — | EP | disclosed |
| US-7629481-B2 | Preparation of butylidene(cyclopentadienylethyl)(1,3-dimethylcyclopentadienyl) zirconium dichloride; simplified production, suitable for mass production; low steric hindrance, suitable for copolymerization of ethylene and 1-hexene or 1-octene | LG CHEM, LTD. (KR) | 2009-12-08 | — | — | US | disclosed |
| EP-1794170-A1 | ANSA-METALLOCENE COMPOUND, PROCESS OF PREPARING THE SAME, AND PROCESS OF PREPARING POLYOLEFIN USING THE SAME | LG Chem, Ltd. (KR) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006033527-A1 | ANSA-METALLOCENE COMPOUND, PROCESS OF PREPARING THE SAME, AND PROCESS OF PREPARING POLYOLEFIN USING THE SAME | LG CHEM. LTD. (KR) | 2006-03-30 | — | — | WO | disclosed |
| US-20060069221-A1 | Ansa-metallocene compound, process of preparing the same, and process of preparing polyolefin using the same | LG CHEM, LTD. (KR) | 2006-03-30 | — | — | US | disclosed |