⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8523129 | 0.87 | — | — | |
| SCHEMBL6830150 | 0.80 | — | — | |
| SCHEMBL1054699 | 0.80 | — | — | |
| SCHEMBL6552567 | 0.79 | — | — | |
| SCHEMBL1048978 | 0.78 | — | — | |
| SCHEMBL6830459 | 0.77 | — | — | |
| SCHEMBL9357177 | 0.74 | — | — | |
| SCHEMBL197983 | 0.71 | CYP19A1 (0.31) | — | |
| SCHEMBL1581150 | 0.71 | CYP19A1 (0.31) | — | |
| SCHEMBL11591113 | 0.71 | CYP19A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040106814-A1 | Silicon ether compound, a method for the preparation thereof and use thereof | BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2004-06-03 | — | — | US | disclosed |