⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31177540 | 1.00 | — | — | |
| SCHEMBL3125569 | 0.81 | — | — | |
| SCHEMBL215323 | 0.81 | — | — | |
| SCHEMBL818029 | 0.77 | KCNQ3 (0.30) | — | |
| SCHEMBL9122987 | 0.71 | — | — | |
| SCHEMBL7082376 | 0.71 | — | — | |
| SCHEMBL28752950 | 0.70 | TACR1 (0.36) | — | |
| SCHEMBL29130047 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL2863077 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL7624500 | 0.68 | — | — |
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-1337333-A1 | CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS | Basell Polyolefine GmbH (DE) | 2003-08-27 | — | — | EP | disclosed |
| US-20030017939-A1 | Catalyst system for the polymerization of olefins | OKUMURA YOSHIKUNI (DE) | 2003-01-23 | — | — | US | disclosed |
| WO-2002038270-A1 | CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2002-05-16 | — | — | WO | disclosed |