⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5552305 | 0.77 | — | — | |
| SCHEMBL5549308 | 0.74 | — | — | |
| SCHEMBL5699124 | 0.70 | CYP1A2 (0.37) | — | |
| SCHEMBL5675765 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL7569267 | 0.67 | CYP1A2 (0.32) | — | |
| SCHEMBL5699121 | 0.67 | CYP1A2 (0.33) | — | |
| SCHEMBL5674124 | 0.65 | CYP1A2 (0.32) | — | |
| SCHEMBL9564090 | 0.65 | — | — | |
| SCHEMBL4075392 | 0.64 | — | — | |
| SCHEMBL7568849 | 0.64 | — | — |
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-0538621-B1 | 2-Methyl-3-chloropropyl-cyclohexyldichlorosilane and process for its preparation | HUELS CHEMISCHE WERKE AG (DE) | 1996-05-08 | — | — | EP | disclosed |
| US-5210256-A | Modification of silicones | HUELS AKTIENGESELLSCHAFT (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0538621-A1 | 2-Methyl-3-chloropropyl-cyclohexyldichlorosilane and process for its preparation | HÜLS AKTIENGESELLSCHAFT (DE) | 1993-04-28 | — | — | EP | disclosed |