⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3170116 | 0.88 | — | — | |
| SCHEMBL20078069 | 0.85 | — | — | |
| SCHEMBL20078067 | 0.83 | — | — | |
| SCHEMBL20078068 | 0.82 | — | — | |
| SCHEMBL5161890 | 0.79 | — | — | |
| SCHEMBL5161457 | 0.78 | — | — | |
| SCHEMBL13145851 | 0.78 | — | — | |
| SCHEMBL20078070 | 0.76 | — | — | |
| SCHEMBL10115289 | 0.75 | — | — | |
| SCHEMBL5161465 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7649087-B2 | Reaction productof 4-acetylthiobutyl-2,3,4,6-tetra-O-acetyl beta D-glucopyranoside with terakis(bromopropyldimethylsiloxy)silane | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2010-01-19 | — | — | US | disclosed |
| US-20050043365-A1 | Saccharide residue-functional organopolycarbosiloxanes and method for the preparation thereof | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2005-02-24 | — | — | US | disclosed |