⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23151 | 0.87 | — | — | |
| Sulfur Dioxide SCHEMBL28099318 | 0.76 | — | — | |
| SCHEMBL27658734 | 0.75 | — | — | |
| SCHEMBL27304515 | 0.75 | — | — | |
| Water SCHEMBL250793 | 0.75 | — | — | |
| Methane SCHEMBL27559339 | 0.75 | — | — | |
| Methylamine SCHEMBL27543125 | 0.67 | — | — | |
| Hydroxyamine SCHEMBL7064714 | 0.67 | — | — | |
| Hydrazine SCHEMBL1093275 | 0.58 | — | — | |
| Hydrazine SCHEMBL9841684 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110078814-A | FGF-21 polypeptide of modification and application thereof | 百时美施贵宝公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-104919318-A | Non-invasive detection of lung cancer using exhaled breath | UNIV LOUISVILLE RES FOUND | 2015-09-16 | — | — | CN | disclosed |