⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1491969 | 0.83 | THRB (0.50) | — | |
| SCHEMBL13669944 | 0.83 | THRB (0.50) | — | |
| SCHEMBL26509369 | 0.83 | THRB (0.50) | — | |
| SCHEMBL1709090 | 0.82 | THRB (0.35) | — | |
| SCHEMBL14280356 | 0.82 | THRB (0.35) | — | |
| SCHEMBL23226272 | 0.82 | THRB (0.35) | — | |
| SCHEMBL14280463 | 0.82 | TRPV1 (0.35) | — | |
| SCHEMBL20804121 | 0.82 | THRB (0.35) | — | |
| SCHEMBL22400059 | 0.82 | THRB (0.35) | — | |
| SCHEMBL23822904 | 0.82 | THRB (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114099674-B | Copper or zinc carrier for carrying diethyl dithiocarbamic acid prodrug and preparation and application thereof | 中山大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-114099674-A | Copper or zinc carrier carrying diethyl dithiocarbamate prodrug, preparation and application | 中山大学 | 2022-03-01 | — | — | CN | disclosed |
| EP-0571593-B1 | NEW NON IONIC IODIZED AGENTS FOR X-RAY CONTRASTING, METHOD FOR PREPARING THEM AND GALENICAL COMPOSITIONS CONTAINING THEM | INVEST JUSTESA IMAGEN S A CENT (ES) | 1996-10-30 | — | — | EP | disclosed |