⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782179 | 0.76 | THRB (0.33) | — | |
| SCHEMBL1780920 | 0.75 | — | — | |
| SCHEMBL1782720 | 0.74 | — | — | |
| SCHEMBL3923715 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL28351948 | 0.67 | — | — | |
| SCHEMBL1784686 | 0.67 | — | — | |
| SCHEMBL10071561 | 0.67 | — | — | |
| SCHEMBL10071570 | 0.66 | — | — | |
| SCHEMBL1230295 | 0.66 | — | — | |
| SCHEMBL3917311 | 0.65 | — | — |
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-8247590-B2 | Method for preventing polymerization of unsaturated organosilicon compounds | WACKER CHEMIE AG (DE) | 2012-08-21 | — | — | US | disclosed |
| US-20110118493-A1 | METHOD FOR PREVENTING POLYMERIZATION OF UNSATURATED ORGANOSILICON COMPOUNDS | WACKER CHEMIE AG (DE) | 2011-05-19 | — | — | US | disclosed |