⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11218163 | 1.00 | ACHE (0.30) | — | |
| SCHEMBL11218164 | 1.00 | ACHE (0.30) | — | |
| SCHEMBL449044 | 0.79 | — | — | |
| SCHEMBL3688372 | 0.74 | — | — | |
| SCHEMBL17581108 | 0.73 | — | — | |
| SCHEMBL1468768 | 0.67 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.60 | RXFP1 (0.33) | — | |
| Hexamethylbenzene SCHEMBL3853890 | 0.55 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL9577265 | 0.55 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL8980194 | 0.55 | RXFP1 (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3663306-B1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYST COMPOSITION CONTAINING SAME | LG CHEMICAL LTD (KR) | 2021-09-08 | — | — | EP | disclosed |
| EP-3663306-A1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYST COMPOSITION CONTAINING SAME | LG CHEM, LTD. (KR) | 2020-06-10 | — | — | EP | disclosed |
| CN-111094307-A | Ligand compound, transition metal compound and catalyst composition comprising the same | LG化学株式会社 | 2020-05-01 | — | — | CN | disclosed |
| US-10280236-B2 | Ligand compound, transition metal compound and catalyst composition including the transition metal compound | LG CHEM, LTD. (KR) | 2019-05-07 | — | — | US | disclosed |
| US-20180371116-A1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND AND CATALYST COMPOSITION INCLUDING THE TRANSITION METAL COMPOUND | LG CHEM, LTD. (KR) | 2018-12-27 | — | — | US | disclosed |
| US-10093755-B2 | Ligand compound, transition metal compound and catalyst composition including the transition metal compound | LG CHEM, LTD. (KR) | 2018-10-09 | — | — | US | disclosed |
| EP-3219718-B1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYST COMPOSITION CONTAINING COMPOUNDS | LG CHEMICAL LTD (KR) | 2018-02-28 | — | — | EP | disclosed |
| US-9822200-B2 | Ligand compound, transition metal compound, and catalystic composition including the same | LG CHEM, LTD. (KR) | 2017-11-21 | — | — | US | disclosed |
| EP-3219718-A1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYST COMPOSITION CONTAINING COMPOUNDS | LG Chem, Ltd. (KR) | 2017-09-20 | — | — | EP | disclosed |
| EP-3216795-A1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYST COMPOSITION CONTAINING SAME | LG Chem, Ltd. (KR) | 2017-09-13 | — | — | EP | disclosed |
| US-20170145122-A1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND AND CATALYST COMPOSITION INCLUDING THE TRANSITION METAL COMPOUND | LG CHEM, LTD. (KR) | 2017-05-25 | — | — | US | disclosed |
| US-20160326281-A1 | LIGAND COMPOUND, TRANSITION METAL COMPOUND, AND CATALYSTIC COMPOSITION INCLUDING THE SAME | LG CHEM, LTD. (KR) | 2016-11-10 | — | — | US | disclosed |