⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504780 | 0.96 | — | — | |
| SCHEMBL8827075 | 0.96 | — | — | |
| SCHEMBL8826483 | 0.91 | — | — | |
| SCHEMBL8826538 | 0.89 | — | — | |
| SCHEMBL8826543 | 0.89 | — | — | |
| SCHEMBL8826806 | 0.89 | — | — | |
| SCHEMBL8827147 | 0.89 | — | — | |
| SCHEMBL8826842 | 0.89 | — | — | |
| SCHEMBL5670989 | 0.86 | — | — | |
| SCHEMBL173635 | 0.84 | — | — |
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-6620875-B2 | Silica filler, coupling agent, cure-enhancing polyoxyalkylene oxide and high molecular weight thiuram disulfide; carbon black; ozone and oxidation resistance; tire treads | UNIROYAL CHEMICAL COMPANY, INC. | 2003-09-16 | — | — | US | disclosed |