⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8118420 | 0.77 | — | — | |
| SCHEMBL16033623 | 0.77 | — | — | |
| SCHEMBL17022078 | 0.77 | — | — | |
| SCHEMBL176251 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL8063782 | 0.74 | — | — | |
| SCHEMBL3858578 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL21886174 | 0.74 | — | — | |
| SCHEMBL13759906 | 0.72 | — | — | |
| SCHEMBL6667488 | 0.72 | — | — | |
| SCHEMBL90556 | 0.72 | — | — |
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-1069129-A2 | Organofunctional cocyclic siloxanes | DOW CORNING CORPORATION (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6118014-A | Organofunctional cocyclic siloxanes | DOW CORNING CORPORATION (US) | 2000-09-12 | — | — | US | disclosed |