⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15285992 | 0.90 | TSHR (0.46) | — | |
| SCHEMBL11146868 | 0.90 | TSHR (0.46) | — | |
| SCHEMBL28360970 | 0.90 | — | — | |
| Thiourea SCHEMBL31483835 | 0.90 | — | — | |
| Hydroxyamine SCHEMBL29662341 | 0.84 | — | — | |
| Hydrazine SCHEMBL6807530 | 0.84 | — | — | |
| SCHEMBL26254 | 0.84 | — | — | |
| SCHEMBL8949845 | 0.84 | — | — | |
| SCHEMBL2295699 | 0.84 | TSHR (0.62) | — | |
| SCHEMBL5691 | 0.84 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114867351-B | 4' -Halogen-containing nucleotide and nucleoside therapeutic compositions and related uses | 埃默里大学 | 2024-04-23 | — | — | CN | disclosed |
| CN-112676045-A | Hydroxy thiourethane compound, preparation method and application thereof, and derivative, preparation method and application thereof | 中南大学 | 2021-04-20 | — | — | CN | disclosed |
| EP-0912249-A1 | NEW COLLECTOR COMPOSITION FOR FLOTATION OF ACTIVATED SPHALERITE | Cytec Technology Corp. (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997047391-A1 | NEW COLLECTOR COMPOSITION FOR FLOTATION OF ACTIVATED SPHALERITE | CYTEC TECHNOLOGY CORP. (US) | 1997-12-18 | — | — | WO | disclosed |
| US-5599442-A | MIXTURE OF ALLYLALKYLTHIONOCARBAMATE AND ALKYLXANTHATE COMPOUNDS ADDED TO ORE SLURRY; SYNERGISTIC | CYTEC TECHNOLOGY CORP. (US) | 1997-02-04 | — | — | US | disclosed |