⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26264670 | 0.82 | — | — | |
| SCHEMBL9353179 | 0.79 | — | — | |
| SCHEMBL4388609 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL14409827 | 0.69 | CES2 (0.37) | — | |
| SCHEMBL9428 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL4628894 | 0.67 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL5537746 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL294413 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL8532837 | 0.64 | — | — | |
| SCHEMBL6760311 | 0.64 | — | — |
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-7220809-B1 | Optical material containing fluorine-containing polymer having functional group | DAIKIN INDUSTRIES, LTD. (JP) | 2007-05-22 | — | — | US | disclosed |
| US-7157454-B2 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2007-01-02 | — | — | US | disclosed |
| EP-0406748-B1 | Dehydrofluorination and dehydrogenation of fluorinated alkanes | ATOCHEM NORTH AMERICA (US) | 1994-09-28 | — | — | EP | disclosed |