⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5484139 | 0.84 | — | — | |
| SCHEMBL5484123 | 0.83 | — | — | |
| SCHEMBL5485027 | 0.81 | — | — | |
| SCHEMBL5493589 | 0.77 | — | — | |
| SCHEMBL5488068 | 0.73 | CYP3A4 (0.46) | — | |
| SCHEMBL5488537 | 0.73 | SIRT1 (0.38) | — | |
| SCHEMBL5488906 | 0.69 | AR (0.35) | — | |
| SCHEMBL5494630 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL5486140 | 0.65 | TAAR1 (0.46) | — | |
| SCHEMBL7614541 | 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-7291747-B2 | Silicon compounds and process for preparation thereof | CHISSO CORPORATION (JP) | 2007-11-06 | — | — | US | disclosed |
| US-20040143081-A1 | Novel silicon compounds and process for preparation thereof | JNC CORPORATION (JP) | 2004-07-22 | — | — | US | disclosed |