⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28104447 | 0.97 | — | — | |
| SCHEMBL2015 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27915667 | 0.94 | TSHR (0.50) | — | |
| SCHEMBL28182981 | 0.94 | — | — | |
| SCHEMBL28210590 | 0.94 | — | — | |
| SCHEMBL27481862 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28028825 | 0.94 | — | — | |
| Water SCHEMBL28196884 | 0.91 | TSHR (0.48) | — | |
| SCHEMBL27904695 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL241059 | 0.86 | CA2 (0.46) | — |
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-106278775-A | The preparation method of a kind of arylamides and purification method thereof | 温州大学 | 2017-01-04 | — | — | CN | disclosed |