⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17993851 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL13110830 | 0.81 | — | — | |
| SCHEMBL13126828 | 0.80 | — | — | |
| SCHEMBL13110829 | 0.80 | — | — | |
| SCHEMBL13110803 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL3451536 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL13110768 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL13110820 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL13110824 | 0.76 | — | — | |
| SCHEMBL13110832 | 0.73 | CYP1A2 (0.34) | — |
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-7820831-B2 | Compounds comprising a thiocarbonyl-sulfanyl group which can be used for the radical synthesis of α-perfluoroalkylamine compounds | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2010-10-26 | — | — | US | disclosed |
| US-20080306281-A1 | NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS | RHODIA OPERATIONS (FR) | 2008-12-11 | — | — | US | disclosed |
| US-7423161-B2 | Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines | RHODIA CHIMIE (FR) | 2008-09-09 | — | — | US | disclosed |