⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1513790 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL11526981 | 0.74 | CTH (0.43) | — | |
| SCHEMBL692337 | 0.74 | — | — | |
| SCHEMBL27633740 | 0.70 | — | — | |
| SCHEMBL7196071 | 0.69 | — | — | |
| SCHEMBL17301099 | 0.68 | TSHR (0.43) | — | |
| Ethylene SCHEMBL17512844 | 0.67 | TSHR (0.47) | — | |
| Hydrochloric Acid SCHEMBL23296183 | 0.67 | THRB (0.41) | — | |
| SCHEMBL303916 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL8715906 | 0.67 | SLC7A5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350042-A1 | NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY | BioChromix Pharma AB (SE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010044743-A1 | NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY | BIOCHROMIX PHARMA AB (SE) | 2010-04-22 | — | — | WO | disclosed |