⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4752541 | 0.87 | — | — | |
| SCHEMBL4752540 | 0.87 | — | — | |
| SCHEMBL2628483 | 0.78 | — | — | |
| SCHEMBL12628589 | 0.78 | — | — | |
| SCHEMBL14778763 | 0.71 | — | — | |
| SCHEMBL6882667 | 0.71 | — | — | |
| SCHEMBL28201257 | 0.69 | — | — | |
| SCHEMBL25304436 | 0.65 | — | — | |
| SCHEMBL12447879 | 0.63 | — | — | |
| SCHEMBL14779197 | 0.61 | CDK1 (0.30) | — |
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-20120122923-A1 | DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES | SANOFI-AVENTIS (FR) | 2012-05-17 | — | — | US | disclosed |
| US-7947701-B2 | Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof | SANOFI-AVENTIS (FR) | 2011-05-24 | — | — | US | 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 |