⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11054555 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL11216884 | 0.79 | — | — | |
| SCHEMBL8693788 | 0.75 | — | — | |
| SCHEMBL5450077 | 0.69 | — | — | |
| SCHEMBL11407031 | 0.69 | — | — | |
| SCHEMBL25169840 | 0.69 | GGPS1 (0.36) | — | |
| SCHEMBL8763217 | 0.69 | GGPS1 (0.36) | — | |
| SCHEMBL17138411 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL9561870 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL28136710 | 0.67 | — | — |
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-1957563-A1 | PROCESS FOR THE PRODUCTION OF ORGANOSILSESQUIOXANES | THE WELDING INSTITUTE (GB) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007060387-A1 | PROCESS FOR THE PRODUCTION OF ORGANOSILSESQUIOXANES | THE WELDING INSTITUTE (GB) | 2007-05-31 | — | — | WO | disclosed |