⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1627599 | 0.73 | TP53 (0.42) | — | |
| SCHEMBL1228508 | 0.73 | — | — | |
| SCHEMBL1532767 | 0.72 | — | — | |
| SCHEMBL9117802 | 0.69 | — | — | |
| SCHEMBL5215319 | 0.69 | — | — | |
| SCHEMBL269578 | 0.67 | TP53 (0.36) | — | |
| 1,2,3-Trichloropropane SCHEMBL19623 | 0.67 | — | — | |
| SCHEMBL11768449 | 0.65 | TP53 (0.35) | — | |
| SCHEMBL6938686 | 0.65 | — | — | |
| SCHEMBL9121906 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102174056-B | Methyltri(2,3-dichloropropoxy)silane compound and preparation method thereof | USTC UNIV SCIENCE TECH CN | 2013-01-23 | — | — | CN | claimed |
| CN-102174056-A | Methyltri(2,3-dichloropropoxy)silane compound and preparation method thereof | USTC UNIV SCIENCE TECH CN | 2011-09-07 | — | — | CN | claimed |
| CN-102174056-B | Methyltri(2,3-dichloropropoxy)silane compound and preparation method thereof | USTC UNIV SCIENCE TECH CN | 2013-01-23 | — | — | CN | disclosed |
| CN-102174056-A | Methyltri(2,3-dichloropropoxy)silane compound and preparation method thereof | USTC UNIV SCIENCE TECH CN | 2011-09-07 | — | — | CN | disclosed |