⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3640773 | 0.71 | — | — | |
| SCHEMBL2802553 | 0.68 | — | — | |
| SCHEMBL2802558 | 0.67 | — | — | |
| SCHEMBL2803934 | 0.66 | — | — | |
| SCHEMBL8818292 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL2672023 | 0.58 | CA2 (0.60) | — | |
| SCHEMBL26838502 | 0.58 | CA2 (0.33) | — | |
| SCHEMBL1514211 | 0.57 | CA2 (0.49) | — | |
| SCHEMBL13218894 | 0.57 | BCHE (0.47) | — | |
| SCHEMBL9106316 | 0.56 | NAAA (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |