⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4786083 | 0.75 | — | — | |
| SCHEMBL8614646 | 0.73 | — | — | |
| Diallylsulfone SCHEMBL9947 | 0.72 | — | — | |
| SCHEMBL8620354 | 0.72 | — | — | |
| SCHEMBL2016950 | 0.72 | CA2 (0.32) | — | |
| SCHEMBL13138364 | 0.69 | — | — | |
| Diallylsulfone SCHEMBL9518459 | 0.69 | CA2 (0.31) | — | |
| SCHEMBL13609 | 0.69 | — | — | |
| Diallylsulfone SCHEMBL28961669 | 0.69 | CA2 (0.31) | — | |
| SCHEMBL3351890 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7329764-B2 | Substitute benzothiophene compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2008-02-12 | — | — | US | disclosed |
| EP-1651629-A1 | SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-05-03 | — | — | EP | disclosed |
| US-20050038104-A1 | Substitute benzothiophene compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-02-17 | — | — | US | disclosed |
| WO-2005012283-A1 | SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-02-10 | — | — | WO | disclosed |
| US-6825184-B2 | FOR USE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-11-30 | — | — | US | disclosed |
| EP-1438048-A1 | 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-07-21 | — | — | EP | disclosed |
| US-20030162968-A1 | 1,4-Disubstituted benzo-fused urea compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-08-28 | — | — | US | disclosed |
| WO-2003032989-A1 | 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-04-24 | — | — | WO | disclosed |