⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7194942 | 0.91 | — | — | |
| SCHEMBL7199230 | 0.91 | — | — | |
| SCHEMBL7195924 | 0.90 | — | — | |
| SCHEMBL7188369 | 0.90 | — | — | |
| SCHEMBL7195922 | 0.89 | — | — | |
| SCHEMBL7188376 | 0.89 | — | — | |
| SCHEMBL7194951 | 0.87 | — | — | |
| SCHEMBL7194286 | 0.87 | — | — | |
| SCHEMBL7190820 | 0.87 | — | — | |
| SCHEMBL273374 | 0.87 | BRD4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11370851-B2 | Transition metal compound and method for preparing polypropylene using the same | LG CHEM, LTD. | 2022-06-28 | — | — | US | disclosed |
| US-20210189025-A1 | Novel Transition Metal Compound and Method for Preparing Polypropylene Using the Same | LG CHEM, LTD. (KR) | 2021-06-24 | — | — | US | disclosed |
| US-6627764-B1 | Titanium, hafnium or zirconium indenyl halide complexes; coordination catalysts | BASELL POLYOLEFINE GMBH (DE) | 2003-09-30 | — | — | US | disclosed |
| JP-2001072695-A | TRANSITION METAL COMPOUND, LIGAND, CATALYST AND USE OF THE SAME CATALYST FOR OLEFIN POLYMERIZATION | TARGOR GMBH | 2001-03-21 | — | — | JP | disclosed |