⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13975662 | 0.91 | — | — | |
| SCHEMBL27714664 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL546776 | 0.77 | — | — | |
| SCHEMBL4267875 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL27742913 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL24525602 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL1375028 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL27694695 | 0.65 | MEN1 (0.35) | — | |
| SCHEMBL666803 | 0.63 | — | — | |
| SCHEMBL74210 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101107294-B | Functionalized polymers and improved tires therefrom | BRIDGESTONE CORP | 2011-05-25 | — | — | CN | claimed |
| CN-101107294-A | Functionalized polymers and improved tires therefrom | BRIDGESTONE CORP (JP) | 2008-01-16 | — | — | CN | claimed |
| CN-101107294-B | Functionalized polymers and improved tires therefrom | BRIDGESTONE CORP | 2011-05-25 | — | — | CN | disclosed |
| CN-101107294-A | Functionalized polymers and improved tires therefrom | BRIDGESTONE CORP (JP) | 2008-01-16 | — | — | CN | disclosed |