⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9336269 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL422550 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL20588841 | 0.88 | — | — | |
| SCHEMBL17259074 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL7712167 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL7712357 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL2786441 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL2336676 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL2026151 | 0.80 | LMNA (0.38) | — | |
| SCHEMBL23297342 | 0.74 | TSHR (0.32) | — |
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-106279037-A | Halogenation 1 (4 mercaptobutyl) 3 Methylimidazole. ionic liquid and its preparation method and application | 温州医科大学 | 2017-01-04 | — | — | CN | disclosed |