⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL115447 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL3820680 | 0.66 | — | — | |
| SCHEMBL79391 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL12815956 | 0.63 | CYP1A2 (0.31) | — | |
| SCHEMBL10936826 | 0.62 | — | — | |
| SCHEMBL1893598 | 0.62 | — | — | |
| SCHEMBL67548 | 0.61 | ACHE (0.38) | — | |
| SCHEMBL3223109 | 0.61 | CYP1A2 (0.40) | — | |
| SCHEMBL981109 | 0.61 | TSHR (0.39) | — | |
| SCHEMBL2657767 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090209712-A1 | TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS | LG CHEM., LTD. (KR) | 2009-08-20 | — | — | US | disclosed |
| US-7538239-B2 | Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions | LG CHEM, LTD. (KR) | 2009-05-26 | — | — | US | disclosed |
| WO-2007007992-A1 | TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS | LG CHEM, LTD. (KR) | 2007-01-18 | — | — | WO | disclosed |
| US-20070010637-A1 | Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions | LG CHEM, LTD. (KR) | 2007-01-11 | — | — | US | disclosed |