⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16412779 | 0.75 | — | — | |
| SCHEMBL4439297 | 0.75 | — | — | |
| SCHEMBL3843617 | 0.70 | APP (0.38) | — | |
| SCHEMBL2250565 | 0.70 | GPR84 (0.40) | — | |
| SCHEMBL3319813 | 0.69 | PIM1 (0.36) | — | |
| SCHEMBL17856240 | 0.64 | — | — | |
| SCHEMBL18267816 | 0.64 | — | — | |
| SCHEMBL10045614 | 0.64 | L3MBTL1 (0.38) | — | |
| SCHEMBL793485 | 0.63 | — | — | |
| SCHEMBL649438 | 0.63 | CYP1A2 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090314997-A1 | SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES | MERCK PATENT GESELLSCHAFT (DE) | 2009-12-24 | — | — | US | disclosed |
| US-20090314997-A1 | SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES | MERCK PATENT GESELLSCHAFT (DE) | 2009-12-24 | — | — | US | disclosed |
| EP-2044082-A1 | SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES | Merck Patent GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008011957-A1 | SUBSTITUTED BENZODITHIOPHENES AND BENZODISELENOPHENES | MERCK PATENT GMBH (DE) | 2008-01-31 | — | — | WO | disclosed |