⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6909134 | 0.84 | SHBG (0.33) | — | |
| SCHEMBL6907773 | 0.84 | SHBG (0.33) | — | |
| SCHEMBL6909513 | 0.84 | SHBG (0.33) | — | |
| SCHEMBL9013439 | 0.83 | — | — | |
| SCHEMBL9013425 | 0.82 | — | — | |
| SCHEMBL7764307 | 0.82 | — | — | |
| SCHEMBL6907681 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL301442 | 0.81 | — | — | |
| SCHEMBL6910635 | 0.81 | — | — | |
| SCHEMBL6909037 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258536-A | Modification of silicones | HULS AKTIENGESELLSCHAFT (DE) | 1993-11-02 | — | — | US | claimed |
| EP-0567737-B1 | 2-methyl-3-chloropropyl-cyclohexyldialkoxysilane and process for its preparation | HUELS CHEMISCHE WERKE AG (DE) | 1996-11-27 | — | — | EP | disclosed |
| EP-0567737-A1 | 2-methyl-3-chloropropyl-cyclohexyldialkoxysilane and process for its preparation | HÜLS AKTIENGESELLSCHAFT (DE) | 1993-11-03 | — | — | EP | disclosed |
| US-5258536-A | Modification of silicones | HULS AKTIENGESELLSCHAFT (DE) | 1993-11-02 | — | — | US | disclosed |