⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13594449 | 0.73 | — | — | |
| SCHEMBL16052319 | 0.73 | — | — | |
| SCHEMBL13730263 | 0.69 | — | — | |
| SCHEMBL11895917 | 0.69 | — | — | |
| SCHEMBL7854560 | 0.67 | SLC6A12 (0.44) | — | |
| SCHEMBL8795941 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL17801451 | 0.65 | SLC6A12 (0.43) | — | |
| SCHEMBL12186701 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL4643763 | 0.61 | — | — | |
| SCHEMBL1162653 | 0.60 | — | — |
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-1753512-B1 | TETRAHYDROPYRIDOTHIOPHENES | NYCOMED GMBH (DE) | 2008-07-09 | — | — | EP | disclosed |