⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461154 | 1.00 | — | — | |
| SCHEMBL1161835 | 1.00 | — | — | |
| SCHEMBL11597748 | 0.81 | AKT1 (0.50) | — | |
| SCHEMBL41825 | 0.79 | — | — | |
| SCHEMBL41826 | 0.79 | — | — | |
| SCHEMBL18131527 | 0.79 | — | — | |
| SCHEMBL22660275 | 0.79 | — | — | |
| SCHEMBL15750770 | 0.79 | — | — | |
| SCHEMBL25276069 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL2835611 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140343227-A1 | Diketopiperazine Forming Dipeptidyl Linker | LONZA AG (CH) | 2014-11-20 | — | — | US | disclosed |
| US-8802819-B2 | Diketopiperazine forming dipeptidyl linker | LONZA LTD. (CH) | 2014-08-12 | — | — | US | disclosed |
| US-7825238-B2 | Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine | MEDIVIR AB (SE) | 2010-11-02 | — | — | US | disclosed |
| US-7825238-B2 | Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine | MEDIVIR AB (SE) | 2010-11-02 | — | — | US | disclosed |