⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1943348 | 0.74 | — | — | |
| SCHEMBL545329 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL18281109 | 0.73 | — | — | |
| SCHEMBL395894 | 0.71 | — | — | |
| SCHEMBL396534 | 0.69 | — | — | |
| SCHEMBL6523484 | 0.67 | — | — | |
| SCHEMBL1022282 | 0.66 | — | — | |
| SCHEMBL1155737 | 0.65 | — | — | |
| SCHEMBL7095455 | 0.64 | — | — | |
| SCHEMBL6699782 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8110697-B2 | Method for the production of polymerizable silicones | WACKER CHEMIE AG (DE) | 2012-02-07 | — | — | US | disclosed |
| US-20100029972-A1 | METHOD FOR THE PRODUCTION OF POLYMERIZABLE SILICONES | WACKER CHEMIE AG (DE) | 2010-02-04 | — | — | US | disclosed |