⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5702194 | 0.83 | — | — | |
| SCHEMBL5702005 | 0.83 | — | — | |
| SCHEMBL5701989 | 0.82 | — | — | |
| SCHEMBL5701847 | 0.79 | PLK1 (0.31) | — | |
| SCHEMBL5701993 | 0.75 | SMN1; SMN2 (0.36) | — | |
| Hexane SCHEMBL27832995 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL1358916 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL5702190 | 0.67 | — | — | |
| SCHEMBL5702235 | 0.67 | — | — | |
| SCHEMBL18760053 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1211256-B1 | Method for purifying fluoroaryl metal compound | NIPPON CATALYTIC CHEM IND (JP) | 2006-08-02 | — | — | EP | disclosed |
| US-6509488-B2 | Magnesium halide is precipitated and removed from solution containing fluoroaryl metal compound, magnesium halide, and ether solvent, or magnesium halide is removed by treating solution with acid | NIPPON SHOKUBAI CO., LTD. (JP) | 2003-01-21 | — | — | US | disclosed |
| EP-1211256-A2 | Method for purifying fluoroaryl metal compound | Nippon Shokubai Co., Ltd. (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-20020065425-A1 | Method for purifying fluoroaryl metal compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-05-30 | — | — | US | disclosed |