⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL48074 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL27900920 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL11408787 | 0.81 | — | — | |
| Acetic Acid SCHEMBL27972133 | 0.81 | — | — | |
| Maleic Acid SCHEMBL26102786 | 0.79 | TSHR (0.53) | — | |
| Allyl Alcohol SCHEMBL28340298 | 0.78 | — | — | |
| Allylamine SCHEMBL175714 | 0.78 | — | — | |
| Acetone SCHEMBL28356829 | 0.78 | — | — | |
| Acetic Acid SCHEMBL9842842 | 0.77 | FFAR3 (0.39) | — | |
| Carbamic Acid SCHEMBL27260221 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104853767-B | For capturing the compositionss and method of the cellular targets of bioactivator | 普洛麦格公司 | 2017-04-05 | — | — | CN | disclosed |