⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1533841 | 0.68 | PPARA (0.32) | — | |
| SCHEMBL5083046 | 0.64 | — | — | |
| SCHEMBL4388484 | 0.62 | — | — | |
| SCHEMBL16817006 | 0.61 | TDP1 (0.36) | — | |
| SCHEMBL7113896 | 0.60 | — | — | |
| SCHEMBL12521010 | 0.59 | — | — | |
| SCHEMBL1075123 | 0.58 | — | — | |
| SCHEMBL12521069 | 0.58 | — | — | |
| SCHEMBL12076448 | 0.58 | — | — | |
| SCHEMBL3886056 | 0.57 | GSK3A (0.32) | — |
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 3 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 |
| 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 |