⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2802528 | 0.89 | — | — | |
| SCHEMBL3640773 | 0.86 | — | — | |
| SCHEMBL2803934 | 0.85 | — | — | |
| SCHEMBL2802553 | 0.83 | — | — | |
| SCHEMBL1742925 | 0.83 | — | — | |
| SCHEMBL15929443 | 0.75 | TLR4 (0.35) | — | |
| SCHEMBL16864091 | 0.75 | TLR4 (0.35) | — | |
| SCHEMBL2336438 | 0.75 | TLR4 (0.35) | — | |
| SCHEMBL15928020 | 0.75 | TLR4 (0.35) | — | |
| SCHEMBL2804057 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150050282-A1 | GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X | INSTITUT PASTEUR (FR) | 2015-02-19 | — | — | US | claimed |
| US-20100239584-A1 | GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X | INSTITUT PASTEUR (FR) | 2010-09-23 | — | — | US | claimed |
| US-10087242-B2 | Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X | INSTITUT PASTEUR (FR) | 2018-10-02 | — | — | US | disclosed |
| US-20150050282-A1 | GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X | INSTITUT PASTEUR (FR) | 2015-02-19 | — | — | US | disclosed |
| US-8815239-B2 | Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X | INSTITUT PASTEUR (FR) | 2014-08-26 | — | — | US | disclosed |
| US-20100239584-A1 | GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X | INSTITUT PASTEUR (FR) | 2010-09-23 | — | — | US | disclosed |