⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL688687 | 0.80 | — | — | |
| SCHEMBL8161010 | 0.80 | — | — | |
| Ethylene SCHEMBL23301196 | 0.77 | — | — | |
| SCHEMBL7602769 | 0.77 | RET (0.31) | — | |
| SCHEMBL21403457 | 0.76 | — | — | |
| SCHEMBL3692806 | 0.75 | — | — | |
| SCHEMBL21980356 | 0.75 | — | — | |
| SCHEMBL7634288 | 0.75 | — | — | |
| SCHEMBL6294240 | 0.75 | — | — | |
| SCHEMBL8927134 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6861384-B2 | Process for preparation of a salt-like chemical compound and its use in catalyst systems for preparing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2005-03-01 | — | — | US | disclosed |
| US-20040048992-A1 | Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins | EQUISTAR CHEMICALS, LP | 2004-03-11 | — | — | US | disclosed |