⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27658422 | 0.95 | — | — | |
| SCHEMBL14529839 | 0.87 | — | — | |
| Bromide SCHEMBL27008656 | 0.85 | — | — | |
| Water SCHEMBL27754559 | 0.85 | — | — | |
| Iodide SCHEMBL28880225 | 0.85 | — | — | |
| SCHEMBL27748812 | 0.84 | GRM2 (0.35) | — | |
| SCHEMBL28311412 | 0.82 | — | — | |
| SCHEMBL27817414 | 0.82 | — | — | |
| SCHEMBL28944256 | 0.82 | PTGS1 (0.33) | — | |
| SCHEMBL27637563 | 0.78 | GRM2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101472932-A | Method for production of organosilicon compounds by hydrosilylation in ionic liquids | WACKER CHEMIE AG (DE) | 2009-07-01 | — | — | CN | disclosed |