⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5585942 | 0.92 | S1PR1 (0.30) | — | |
| SCHEMBL23251421 | 0.90 | S1PR1 (0.31) | — | |
| SCHEMBL5585691 | 0.87 | SIGMAR1 (0.31) | — | |
| SCHEMBL24525668 | 0.82 | — | — | |
| SCHEMBL5586058 | 0.81 | — | — | |
| SCHEMBL5585715 | 0.80 | S1PR1 (0.32) | — | |
| SCHEMBL3229092 | 0.78 | HSD11B1 (0.35) | — | |
| SCHEMBL5585723 | 0.77 | S1PR1 (0.30) | — | |
| SCHEMBL5585326 | 0.77 | OPRM1 (0.31) | — | |
| SCHEMBL22628657 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1836238-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | Bridgestone Corporation (JP) | 2007-09-26 | — | — | EP | claimed |
| WO-2006076629-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | BRIDGESTONE CORPORATION (JP) | 2006-07-20 | — | — | WO | claimed |