⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22384691 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL22384679 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL16135226 | 0.73 | — | — | |
| SCHEMBL26278252 | 0.72 | — | — | |
| SCHEMBL56625 | 0.71 | — | — | |
| SCHEMBL4406661 | 0.71 | — | — | |
| SCHEMBL24425923 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL27274566 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL16313109 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL28836158 | 0.69 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3702348-A1 | THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS | Shikoku Chemicals Corporation (JP) | 2020-09-02 | — | — | EP | disclosed |