⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7037859 | 0.98 | — | — | |
| SCHEMBL1094281 | 0.76 | — | — | |
| SCHEMBL1094285 | 0.75 | — | — | |
| SCHEMBL1094282 | 0.74 | — | — | |
| SCHEMBL7641162 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL7643011 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL778622 | 0.71 | — | — | |
| SCHEMBL3058414 | 0.69 | LMNA (0.37) | — | |
| SCHEMBL12530888 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL20991725 | 0.69 | LMNA (0.35) | — |
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-6620972-B2 | Fluorous sulfoxides used to oxidize primary or secondary alcohols to aldehydes or ketones in presence of activator, followed by treatment with organic base | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2003-09-16 | — | — | US | disclosed |
| US-20030105363-A1 | Method of oxidizing an alcohol using a recyclable fluorous sulfoxide | UNIVERSITY OF ILLINOIS AT CHICAGO | 2003-06-05 | — | — | US | disclosed |