⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4946 | 0.69 | — | — | |
| SCHEMBL10602282 | 0.69 | — | — | |
| Crotonaldehyde SCHEMBL28194851 | 0.67 | TRPA1 (0.58) | — | |
| Crotonaldehyde SCHEMBL11819013 | 0.67 | TRPA1 (0.58) | — | |
| SCHEMBL9163059 | 0.66 | — | — | |
| SCHEMBL9163055 | 0.66 | — | — | |
| SCHEMBL7206921 | 0.66 | — | — | |
| SCHEMBL12571263 | 0.66 | — | — | |
| SCHEMBL14616165 | 0.66 | — | — | |
| SCHEMBL19035826 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462207-B1 | WHICH UPON FURTHER CHEMICAL MODIFICATION ARE USEFUL IN BIOMEDICAL APPLICATIONS, PERMIT THE SYNTHESIS OF NEW POLYMERS, MAY BE USED AS INTERMEDIATES IN THE PREPARATION OF COMPOSITIONS POSSESSING PROPERTIES OF INTEREST | SOUTHWEST MISSOURI STATE UNIVERSITY | 2002-10-08 | — | — | US | disclosed |