⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL26660448 | 0.98 | — | — | |
| SCHEMBL31061883 | 0.82 | — | — | |
| SCHEMBL10279027 | 0.78 | — | — | |
| SCHEMBL3311478 | 0.76 | — | — | |
| SCHEMBL1208482 | 0.76 | — | — | |
| SCHEMBL282246 | 0.76 | — | — | |
| SCHEMBL12128472 | 0.73 | — | — | |
| SCHEMBL11225943 | 0.73 | — | — | |
| SCHEMBL17000223 | 0.73 | GABRA1 (0.34) | — | |
| SCHEMBL13491637 | 0.73 | NPC1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023220247-A1 | LRRK2 INHIBITORS | INTERLINE THERAPEUTICS, INC. (US) | 2023-11-16 | — | — | WO | disclosed |
| US-20110044938-A1 | TETRAHYDROBENZOTHIOPHENE DERIVATIVES | NYCOMED GMBH (DE) | 2011-02-24 | — | — | US | disclosed |
| US-20100285149-A1 | NOVEL TETRAHYDROPYRIDOTHIOPHENES | 4SC AG (DE) | 2010-11-11 | — | — | US | disclosed |
| EP-2051974-A1 | TETRAHYDROBENZOTHIOPHENE DERIVATIVES | 4SC AG (DE) | 2009-04-29 | — | — | EP | disclosed |
| EP-2051983-A1 | NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER | 4SC AG (DE) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008020045-A1 | TETRAHYDROBENZOTHIOPHENE DERIVATIVES | 4SC AG (DE) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008020024-A1 | NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER | 4SC AG (DE) | 2008-02-21 | — | — | WO | disclosed |