⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56580 | 0.89 | TSHR (0.36) | — | |
| SCHEMBL21633521 | 0.87 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL8577957 | 0.87 | TSHR (0.35) | — | |
| SCHEMBL10476454 | 0.83 | TSHR (0.38) | — | |
| Trimethylammonium SCHEMBL7194439 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL702901 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL4185551 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL4729324 | 0.81 | LMNA (0.37) | — | |
| SCHEMBL522882 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL4523393 | 0.80 | TSHR (0.42) | — |
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-106732778-A | Immobilized heteropoly acid ionic liquid catalyst and preparation method thereof | 常州大学 | 2017-05-31 | — | — | CN | disclosed |