⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5586042 | 0.88 | — | — | |
| SCHEMBL5585819 | 0.79 | — | — | |
| SCHEMBL5585662 | 0.79 | SIGMAR1 (0.31) | — | |
| SCHEMBL5585337 | 0.77 | — | — | |
| SCHEMBL5585899 | 0.72 | LTA4H (0.32) | — | |
| SCHEMBL23251421 | 0.72 | S1PR1 (0.31) | — | |
| SCHEMBL20880455 | 0.72 | — | — | |
| SCHEMBL9671995 | 0.71 | PARP1 (0.31) | — | |
| SCHEMBL5585723 | 0.71 | S1PR1 (0.30) | — | |
| SCHEMBL5586081 | 0.70 | — | — |
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-7504457-B2 | Functionalized polymers and improved tires therefrom | BRIDGESTONE CORPORATION (JP) | 2009-03-17 | — | — | US | claimed |
| 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 |