⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9620112 | 0.79 | — | — | |
| SCHEMBL28052836 | 0.79 | — | — | |
| SCHEMBL290723 | 0.76 | — | — | |
| SCHEMBL12614089 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL290725 | 0.73 | — | — | |
| SCHEMBL18506861 | 0.71 | — | — | |
| SCHEMBL858586 | 0.71 | — | — | |
| SCHEMBL859923 | 0.71 | — | — | |
| SCHEMBL10679132 | 0.71 | — | — | |
| SCHEMBL2456394 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196371-A1 | QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005742-A1 | QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2001-01-25 | — | — | WO | disclosed |