⚠ 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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL8991851 | 0.92 | ALDH1A1 (0.32) | — | |
| SCHEMBL7793941 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL7053117 | 0.81 | — | — | |
| SCHEMBL10773422 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL10777409 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL7761298 | 0.78 | — | — | |
| SCHEMBL7942508 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL7059083 | 0.75 | — | — | |
| SCHEMBL74717 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL728853 | 0.73 | ALDH1A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0694553-B1 | Process for preparing acyloxysilanes | DOW CORNING (US) | 2001-11-28 | — | — | EP | disclosed |
| EP-0694553-A2 | Process for preparing acyloxysilanes | DOW CORNING CORPORATION (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5387706-A | Contacting chlorosilane with carboxylic acid in film, forming acyloxysilane and hydrogen chloride, vaporizing hydrogen chloride, recovering acyloxysilane | DOW CORNING CORPORATION (US) | 1995-02-07 | — | — | US | disclosed |