⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1435946 | 0.77 | — | — | |
| SCHEMBL97405 | 0.73 | LDHA (0.38) | — | |
| Malonic Acid SCHEMBL27964971 | 0.71 | LDHA (0.60) | — | |
| SCHEMBL11465675 | 0.71 | — | — | |
| SCHEMBL1940538 | 0.69 | — | — | |
| SCHEMBL28033740 | 0.69 | — | — | |
| SCHEMBL7077910 | 0.69 | LDHA (0.47) | — | |
| SCHEMBL1366069 | 0.69 | — | — | |
| SCHEMBL517270 | 0.69 | — | — | |
| SCHEMBL8585811 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1196371-B1 | QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY | CENTRE NAT RECH SCIENT (FR) | 2005-11-02 | — | — | EP | disclosed |
| 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 |