⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10717160 | 0.71 | — | — | |
| SCHEMBL761345 | 0.71 | — | — | |
| SCHEMBL20411925 | 0.67 | — | — | |
| SCHEMBL20411941 | 0.67 | — | — | |
| SCHEMBL25926353 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL17145116 | 0.65 | — | — | |
| SCHEMBL13967280 | 0.65 | — | — | |
| SCHEMBL2625531 | 0.65 | THRA (0.30) | — | |
| SCHEMBL10045671 | 0.65 | — | — | |
| SCHEMBL16202203 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7947701-B2 | Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof | SANOFI-AVENTIS (FR) | 2011-05-24 | — | — | US | disclosed |
| EP-1687312-B1 | DUAL MOLECULES CONTAINING PEROXY DERIVATIVE, THE SYNTHESIS AND THERAPEUTIC APPLICATIONS THEREOF | CENTRE NAT RECH SCIENT (FR) | 2010-07-14 | — | — | EP | disclosed |
| US-20070021423-A1 | Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2007-01-25 | — | — | US | disclosed |
| EP-1687312-A1 | DUAL MOLECULES CONTAINING PEROXY DERIVATIVE, THE SYNTHESIS AND THERAPEUTIC APPLICATIONS THEREOF | Centre National de la Recherche Scientifique (FR) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005049619-A1 | DUAL MOLECULES CONTAINING PEROXY DERIVATIVE, THE SYNTHESIS AND THERAPEUTIC APPLICATIONS THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2005-06-02 | — | — | WO | disclosed |