⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111558 | 1.00 | — | — | |
| SCHEMBL7109438 | 1.00 | — | — | |
| SCHEMBL7111562 | 1.00 | — | — | |
| SCHEMBL7594659 | 0.78 | CA1 (0.32) | — | |
| SCHEMBL7591334 | 0.73 | — | — | |
| SCHEMBL7595336 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL8407560 | 0.72 | CA1 (0.38) | — | |
| SCHEMBL9219716 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL5031014 | 0.69 | — | — | |
| SCHEMBL8424584 | 0.69 | — | — |
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-20040082803-A1 | Trichlorosilyl groups containing organochlorosilanes and their preparation methods by the double-silylation of olefins with trichlorosilane | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY | 2004-04-29 | — | — | US | disclosed |