⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45125 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9929782 | 0.89 | — | — | |
| SCHEMBL22686515 | 0.89 | — | — | |
| Hydrogen Peroxide SCHEMBL28403802 | 0.84 | ALDH1A1 (0.33) | — | |
| Benzene SCHEMBL471823 | 0.80 | ALDH1A1 (0.32) | — | |
| Benzene SCHEMBL3619903 | 0.77 | ALDH1A1 (0.31) | — | |
| Bicarbonate SCHEMBL382260 | 0.74 | TSHR (0.42) | — | |
| Bicarbonate SCHEMBL1627199 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL1159661 | 0.74 | — | — | |
| Alcohol SCHEMBL5184769 | 0.71 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102947218-B | Synthesis, Capping and Dispersion of Nanocrystals | PIXELLIGENT TECHNOLOGIES, LLC (US) | 2016-05-11 | — | — | CN | disclosed |
| CN-103328374-A | Synthesis, capping and dispersion of nanocrystals | PIXELLIGENT TECHNOLOGIES LLC | 2013-09-25 | — | — | CN | disclosed |
| CN-102947218-A | Synthesis, capping and dispersion of nanocrystals | PIXELLIGENT TECHNOLOGIES LLC | 2013-02-27 | — | — | CN | disclosed |