⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6053962 | 0.90 | — | — | |
| SCHEMBL6054032 | 0.89 | — | — | |
| SCHEMBL6054019 | 0.88 | — | — | |
| SCHEMBL6053943 | 0.88 | — | — | |
| SCHEMBL6054044 | 0.80 | GABRA2 (0.32) | — | |
| SCHEMBL6054100 | 0.79 | — | — | |
| SCHEMBL6053918 | 0.79 | ESR1 (0.34) | — | |
| SCHEMBL6053948 | 0.78 | — | — | |
| SCHEMBL6053938 | 0.76 | — | — | |
| SCHEMBL8979422 | 0.76 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7005398-B2 | Olefin polymerization catalyst, catalyst component for olefin polymerization, method of storing these, and process for producing olefin polymer | SUNALLOMER LTD. (JP) | 2006-02-28 | — | — | US | disclosed |