⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3775755 | 0.67 | — | — | |
| Bromide SCHEMBL11793091 | 0.62 | — | — | |
| SCHEMBL139589 | 0.51 | — | — | |
| Hydrogen Sulfide SCHEMBL2733957 | 0.38 | — | — | |
| Cyclohexane SCHEMBL671441 | 0.22 | ALDH1A1 (0.33) | — | |
| SCHEMBL122689 | 0.22 | ALDH1A1 (0.33) | — | |
| SCHEMBL62296 | 0.22 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL25436674 | 0.00 | — | — | |
| SCHEMBL25432844 | 0.00 | — | — | |
| Water SCHEMBL25437472 | 0.00 | — | — |
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-20090318651-A1 | HETEROCYCLIC COMPOUND AND HETEROCYCLIC POLYMERS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-12-24 | — | — | US | disclosed |
| EP-2128146-A1 | HETEROCYCLIC COMPOUNDS AND HETEROCYCLIC POLYMERS | Sumitomo Chemical Company, Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-5384342-A | Adhesion promoter in UV curable coating for glass | DSM DESOTECH, INC. (US) | 1995-01-24 | — | — | US | disclosed |