⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6658334 | 0.77 | — | — | |
| SCHEMBL1751890 | 0.77 | — | — | |
| SCHEMBL15057931 | 0.73 | — | — | |
| SCHEMBL4433386 | 0.73 | — | — | |
| SCHEMBL23888600 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL503138 | 0.68 | — | — | |
| SCHEMBL6755507 | 0.67 | — | — | |
| SCHEMBL6886965 | 0.65 | — | — | |
| SCHEMBL1527107 | 0.65 | — | — | |
| SCHEMBL31436159 | 0.65 | — | — |
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-7157398-B2 | Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins | CELANESE VENTURES GMBH (DE) | 2007-01-02 | — | — | US | disclosed |
| US-20050148461-A1 | Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins | CELANESE VENTURES GMBH (DE) | 2005-07-07 | — | — | US | disclosed |