⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7177012 | 0.89 | — | — | |
| SCHEMBL5948647 | 0.87 | EDNRB (0.33) | — | |
| SCHEMBL1583444 | 0.87 | — | — | |
| SCHEMBL1582620 | 0.87 | — | — | |
| SCHEMBL138390 | 0.87 | — | — | |
| SCHEMBL7185503 | 0.86 | ACHE (0.32) | — | |
| SCHEMBL7179201 | 0.86 | — | — | |
| SCHEMBL7162624 | 0.86 | — | — | |
| SCHEMBL5952771 | 0.86 | HTR2C (0.33) | — | |
| SCHEMBL1582893 | 0.86 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066303-B1 | TRANSITION METAL COMPOUND CONTAINING CATIONIC GROUPS WHICH IS USED AS AN OLEFIN POLYMERIZATION CATALYST COMPONENT | BASELL POLYOLEFINE GMBH (DE) | 2003-09-10 | — | — | EP | claimed |
| US-6583238-B1 | Polypropylene having extraordinarily high stereospecificity and regiospecificity; | BASELL POLYOLEFINE GMBH (DE) | 2003-06-24 | — | — | US | claimed |
| US-6552210-B1 | Metallocenes which can be firmly fixed to support; gas phase polymerization | TARGOR GMBH (DE) | 2003-04-22 | — | — | US | claimed |
| EP-1066330-B1 | CATALYST SYSTEM, METHOD FOR THE PRODUCTION THEREOF, AND THE UTILIZATION THEREOF FOR THE POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2002-02-06 | — | — | EP | claimed |
| US-6583238-B1 | Polypropylene having extraordinarily high stereospecificity and regiospecificity; | BASELL POLYOLEFINE GMBH (DE) | 2003-06-24 | — | — | US | disclosed |
| US-6552210-B1 | Metallocenes which can be firmly fixed to support; gas phase polymerization | TARGOR GMBH (DE) | 2003-04-22 | — | — | US | disclosed |