⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6011499 | 1.00 | — | — | |
| SCHEMBL6011502 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL2267588 | 0.83 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL7440809 | 0.80 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL5608598 | 0.80 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL5608594 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL24799610 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL15210201 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL6439208 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL5963798 | 0.78 | THRB (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030194378-A1 | Novel aerosol formulation containing a polar fluorinated molecule | ASTRAZENECA AB (SE) | 2003-10-16 | — | — | US | claimed |
| EP-1303258-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | AstraZeneca AB (SE) | 2003-04-23 | — | — | EP | claimed |
| WO-2002003958-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | ASTRAZENECA AB (SE) | 2002-01-17 | — | — | WO | claimed |
| EP-1303258-B1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | ASTRAZENECA AB (SE) | 2006-10-11 | — | — | EP | disclosed |
| US-20030194378-A1 | Novel aerosol formulation containing a polar fluorinated molecule | ASTRAZENECA AB (SE) | 2003-10-16 | — | — | US | disclosed |
| EP-1303258-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | AstraZeneca AB (SE) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002003958-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | ASTRAZENECA AB (SE) | 2002-01-17 | — | — | WO | disclosed |