⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22700918 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL21187431 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL24322432 | 0.77 | THRB (0.33) | — | |
| SCHEMBL1886088 | 0.77 | — | — | |
| SCHEMBL7963244 | 0.77 | — | — | |
| SCHEMBL7963247 | 0.77 | TDP1 (0.30) | — | |
| SCHEMBL27348040 | 0.77 | — | — | |
| SCHEMBL22384691 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL30481087 | 0.75 | THRB (0.38) | — | |
| SCHEMBL22384679 | 0.75 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11807596-B2 | Thiol compounds, synthesis method therefor, and utilization of said thiol compounds | SHIKOKU CHEMICALS CORPORATION (JP) | 2023-11-07 | — | — | US | disclosed |
| EP-3998252-A1 | THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS | Shikoku Chemicals Corporation (JP) | 2022-05-18 | — | — | EP | disclosed |
| US-20200369606-A1 | THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS | SHIKOKU CHEMICALS CORPORATION (JP) | 2020-11-26 | — | — | US | disclosed |