⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116944 | 0.84 | — | — | |
| SCHEMBL30973629 | 0.82 | — | — | |
| SCHEMBL215385 | 0.82 | PKM (0.33) | — | |
| Heptane SCHEMBL25329708 | 0.80 | SOAT1 (0.33) | — | |
| SCHEMBL6378920 | 0.80 | CA2 (0.37) | — | |
| Ether SCHEMBL6654560 | 0.80 | HPGD (0.30) | — | |
| SCHEMBL29497620 | 0.78 | — | — | |
| SCHEMBL29907880 | 0.78 | — | — | |
| SCHEMBL394834 | 0.78 | — | — | |
| SCHEMBL6381984 | 0.78 | KDM4E (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-20040220359-A1 | Multiple catalyst and reactor system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-11-04 | — | — | US | disclosed |