⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6037672 | 0.79 | — | — | |
| SCHEMBL1292843 | 0.67 | — | — | |
| SCHEMBL1678341 | 0.67 | — | — | |
| Bromide SCHEMBL29101364 | 0.64 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL10587897 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL1678167 | 0.64 | — | — | |
| SCHEMBL178403 | 0.64 | — | — | |
| Iodide SCHEMBL7028839 | 0.62 | — | — | |
| SCHEMBL22686146 | 0.62 | — | — | |
| SCHEMBL7019922 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008287-B2 | Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine | EPICENTRX, INC. (US) | 2021-05-18 | — | — | US | disclosed |
| US-10737280-B2 | Method of using flotation collector containing azolethione structure | CENTRAL SOUTH UNIVERSITY (CN) | 2020-08-11 | — | — | US | disclosed |
| US-20200157047-A1 | SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE | EPICENTRX, INC. | 2020-05-21 | — | — | US | disclosed |
| US-20190217310-A1 | METHOD OF USING FLOTATION COLLECTOR CONTAINING AZOLETHIONE STRUCTURE | CENTRAL SOUTH UNIVERSITY (CN) | 2019-07-18 | — | — | US | disclosed |