⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9820410 | 0.77 | CYP3A4 (0.53) | — | |
| SCHEMBL1004018 | 0.71 | CYP3A4 (0.59) | — | |
| SCHEMBL11380138 | 0.70 | CYP3A4 (0.30) | — | |
| SCHEMBL28035980 | 0.70 | CYP3A4 (0.47) | — | |
| SCHEMBL1006177 | 0.69 | CYP3A4 (0.43) | — | |
| SCHEMBL31465325 | 0.69 | CYP3A4 (0.43) | — | |
| SCHEMBL5488090 | 0.68 | CD44 (0.42) | — | |
| Water SCHEMBL28512050 | 0.67 | CYP3A4 (0.42) | — | |
| SCHEMBL28492412 | 0.67 | CYP3A4 (0.42) | — | |
| SCHEMBL5485442 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |