⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6440830 | 0.81 | HTR6 (0.31) | — | |
| SCHEMBL7614983 | 0.80 | HTR6 (0.34) | — | |
| SCHEMBL6909323 | 0.70 | CDC25A (0.38) | — | |
| SCHEMBL20219170 | 0.69 | HTR6 (0.32) | — | |
| SCHEMBL25176054 | 0.67 | PTPRC (0.44) | — | |
| SCHEMBL4618562 | 0.66 | HTR6 (0.37) | — | |
| SCHEMBL7643792 | 0.66 | HTR6 (0.37) | — | |
| SCHEMBL7031079 | 0.65 | PTGS2 (0.35) | — | |
| SCHEMBL3375228 | 0.64 | — | — | |
| SCHEMBL7633782 | 0.64 | ALDH1A1 (0.41) | — |
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-6646071-B1 | Catalysts for high temperature solution polymerization | THE DOW CHEMICAL COMPANY | 2003-11-11 | — | — | US | disclosed |
| EP-1178996-B1 | METAL COMPLEXES CONTAINING BRIDGING HETEROATOM FOR OLEFIN-POLYMERIZATION-PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2003-03-05 | — | — | EP | disclosed |