⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8097392 | 0.84 | — | — | |
| SCHEMBL4669216 | 0.84 | — | — | |
| SCHEMBL5267819 | 0.81 | — | — | |
| SCHEMBL5795761 | 0.77 | — | — | |
| SCHEMBL7111961 | 0.71 | — | — | |
| SCHEMBL335416 | 0.68 | — | — | |
| SCHEMBL5616728 | 0.68 | — | — | |
| SCHEMBL5989826 | 0.67 | — | — | |
| SCHEMBL335182 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL5970378 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1395619-A1 | PROCESS FOR THE POLYMERIZATION OF 1-BUTENE | Basell Polyolefine GmbH (DE) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002100908-A1 | PROCESS FOR THE POLYMERIZATION OF 1-BUTENE | BASELL POLYOLEFINE GMBH (DE) | 2002-12-19 | — | — | WO | disclosed |