⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1531016 | 0.67 | GABRA1 (0.34) | — | |
| SCHEMBL1276109 | 0.67 | GABRA1 (0.36) | — | |
| SCHEMBL11306575 | 0.65 | GABRA1 (0.54) | — | |
| SCHEMBL9485968 | 0.64 | GABRA1 (0.41) | — | |
| SCHEMBL30083989 | 0.64 | GABRA1 (0.47) | — | |
| SCHEMBL2475077 | 0.64 | GABRA1 (0.47) | — | |
| SCHEMBL5481769 | 0.64 | GABRA1 (0.38) | — | |
| SCHEMBL173300 | 0.63 | GABRA1 (0.56) | — | |
| SCHEMBL29763626 | 0.63 | GABRA1 (0.56) | — | |
| SCHEMBL9387535 | 0.63 | GABRA1 (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431682-B2 | Regioregular polyselenophenes | MERCK PATENT GMBH (DE) | 2013-04-30 | — | — | US | disclosed |
| EP-1951787-B1 | REGIOREGULAR POLYSELENOPHENES | MERCK PATENT GMBH (DE) | 2011-02-23 | — | — | EP | disclosed |
| US-20090227764-A1 | REGIOREGULAR POLYSELENOPHENES | MERCK PATENT GESELLSCHAFT (DE) | 2009-09-10 | — | — | US | disclosed |
| EP-1951787-A1 | REGIOREGULAR POLYSELENOPHENES | Merck Patent GmbH (DE) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007059849-A1 | REGIOREGULAR POLYSELENOPHENES | MERCK PATENT GMBH (DE) | 2007-05-31 | — | — | WO | disclosed |