⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14423701 | 0.75 | KIF11 (0.30) | — | |
| SCHEMBL13036720 | 0.74 | — | — | |
| SCHEMBL2993840 | 0.72 | HTR6 (0.42) | — | |
| SCHEMBL13036722 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL5017174 | 0.62 | CA1 (0.44) | — | |
| SCHEMBL13885112 | 0.61 | LMNA (0.48) | — | |
| SCHEMBL1469751 | 0.61 | CA2 (0.38) | — | |
| SCHEMBL5014762 | 0.60 | TSHR (0.48) | — | |
| SCHEMBL571463 | 0.58 | MMP2 (0.43) | — | |
| SCHEMBL1721980 | 0.58 | CA1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7829603-B2 | Stable trifluorostyrene containing compounds grafted to base polymers, and their use as polymer electrolyte membranes | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-11-09 | — | — | US | disclosed |
| US-20080032184-A1 | Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes | U.S. DEPARTMENT OF ENERGY | 2008-02-07 | — | — | US | disclosed |
| US-20070208092-A1 | Stable Trifluorostyrene Containing Compounds Grafted To Base Polymers, And Their Use As Polymer Electrolyte Membranes | U.S. DEPARTMENT OF ENERGY | 2007-09-06 | — | — | US | disclosed |