⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1904947 | 0.91 | — | — | |
| SCHEMBL1903060 | 0.91 | — | — | |
| SCHEMBL1903044 | 0.89 | PTGS2 (0.30) | — | |
| SCHEMBL1905581 | 0.88 | — | — | |
| SCHEMBL1903468 | 0.88 | — | — | |
| SCHEMBL1904050 | 0.88 | — | — | |
| SCHEMBL1902428 | 0.87 | MGAM (0.34) | — | |
| SCHEMBL1905491 | 0.86 | ALOX5AP (0.32) | — | |
| SCHEMBL1908069 | 0.86 | CXCR5 (0.33) | — | |
| SCHEMBL1908032 | 0.85 | MGAM (0.33) | — |
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 |