⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL690839 | 0.85 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL1512190 | 0.78 | — | — | |
| SCHEMBL28245485 | 0.76 | CYP2C19 (0.58) | — | |
| SCHEMBL2624094 | 0.74 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL7576210 | 0.74 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL13248782 | 0.74 | — | — | |
| SCHEMBL3218141 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL1415223 | 0.73 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL2007852 | 0.73 | — | — | |
| SCHEMBL17068140 | 0.73 | SMN1; SMN2 (0.48) | — |
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-5440031-A | Form stable complexes with radioactive metal ions which can be eliminated from organism | Orszagos "Frederic Joliot-Curie" Sugar-biologiai es Sugaregeszsegugyi Kutato Intezet (HU) | 1995-08-08 | — | — | US | disclosed |
| EP-0463123-A1 | 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM | ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIA ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) | 1992-01-02 | — | — | EP | disclosed |
| WO-1991010655-A1 | 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM | ORSZÁGOS 'FREDERIC JOLIOT-CURIE' SUGÁRBIOLÓGIAI ÉS SUGÁREGÉSZSÉGÜGYI KUTATÓ INTÉZET (HU) | 1991-07-25 | — | — | WO | disclosed |