⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5201096 | 0.97 | — | — | |
| SCHEMBL28487545 | 0.94 | — | — | |
| SCHEMBL10777180 | 0.75 | — | — | |
| SCHEMBL9716096 | 0.75 | — | — | |
| Ethane SCHEMBL14744425 | 0.73 | — | — | |
| SCHEMBL6910170 | 0.73 | — | — | |
| SCHEMBL29129900 | 0.71 | — | — | |
| SCHEMBL28333588 | 0.71 | — | — | |
| SCHEMBL28738930 | 0.71 | — | — | |
| SCHEMBL11013587 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008156984-A1 | USE OF CYCLODEXTRINS IN CONTROLLED ARCHITECTURE POLYMER SYNTHESIS | ARKEMA INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| US-7253192-B2 | Phenyl derivatives comprising an acetylene group | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| EP-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| US-20070026282-A1 | Polymer Electrolyte Membrane, Process For Production Thereof, Polymer Electrolyte, Electrolyte Composition, Membrane-Electrode Assembly, And Fuel Cell | CANON KABUSHIKI KAISHA (JP) | 2007-02-01 | — | — | US | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004091-A1 | Phenyl derivatives comprising an acetylene group | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | disclosed |