⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8559357 | 1.00 | — | — | |
| SCHEMBL9257580 | 0.83 | FFAR3 (0.35) | — | |
| SCHEMBL8556441 | 0.73 | — | — | |
| SCHEMBL8556438 | 0.73 | — | — | |
| SCHEMBL14516065 | 0.71 | — | — | |
| SCHEMBL7584403 | 0.71 | — | — | |
| SCHEMBL18087618 | 0.69 | — | — | |
| SCHEMBL1287802 | 0.67 | — | — | |
| SCHEMBL1287804 | 0.67 | — | — | |
| SCHEMBL7614582 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9309332-B2 | Polymerization catalysts, methods and products | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2016-04-12 | — | — | US | disclosed |
| US-20140058041-A1 | POLYMERIZATION CATALYSTS, METHODS AND PRODUCTS | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2014-02-27 | — | — | US | disclosed |
| EP-0848015-A1 | Catalyst for the production of functionalized polymers | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |