⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1904801 | 0.94 | — | — | |
| SCHEMBL1907817 | 0.92 | — | — | |
| SCHEMBL1906172 | 0.92 | — | — | |
| SCHEMBL1905102 | 0.91 | KIF11 (0.32) | — | |
| SCHEMBL1906039 | 0.91 | MGAM (0.31) | — | |
| SCHEMBL1903680 | 0.90 | — | — | |
| SCHEMBL1903752 | 0.90 | HTR2C (0.32) | — | |
| SCHEMBL1905321 | 0.89 | TRPA1 (0.32) | — | |
| SCHEMBL1904249 | 0.89 | REN (0.31) | — | |
| SCHEMBL1908009 | 0.89 | — | — |
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-20110118427-A1 | Transition Metal Complex And Process For Production Thereof, Olefin Polymerization Catalyst, Process For Production of Polyolefin Resin, And Substituted Fluorene Compound And Process For Production Thereof | SUMITOMO CHEMICAL COMPANY, LIMITED | 2011-05-19 | — | — | US | disclosed |