⚠ 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 | |
|---|---|---|---|---|
| Sulfur Dioxide SCHEMBL28153220 | 0.82 | — | — | |
| Thiourea SCHEMBL850383 | 0.78 | — | — | |
| Thiourea SCHEMBL30536978 | 0.78 | — | — | |
| Thiourea SCHEMBL30536984 | 0.78 | — | — | |
| Thiourea SCHEMBL1008 | 0.78 | — | — | |
| Urea SCHEMBL653170 | 0.74 | — | — | |
| Urea SCHEMBL28602962 | 0.74 | ALDH1A1 (0.67) | — | |
| Urea SCHEMBL9702596 | 0.74 | — | — | |
| Thiourea SCHEMBL477909 | 0.74 | — | — | |
| Thiourea SCHEMBL8948097 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2003002526-A1 | METHOD OF OXIDIZING AN ALCOHOL USING A RECYCLABLE FLUOROUS SULFOXIDE | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2003-01-09 | — | — | WO | disclosed |