⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9938699 | 0.60 | ALDH1A1 (0.38) | — | |
| SCHEMBL10781014 | 0.58 | ALOX15 (0.33) | — | |
| Ethylene SCHEMBL28090460 | 0.56 | MEN1 (0.30) | — | |
| SCHEMBL21661924 | 0.55 | — | — | |
| Maleic Anhydride SCHEMBL10625748 | 0.54 | ALDH1A1 (0.34) | — | |
| Maleic Anhydride SCHEMBL55173 | 0.54 | — | — | |
| SCHEMBL9620224 | 0.54 | — | — | |
| SCHEMBL22654552 | 0.53 | MAPT (0.32) | — | |
| SCHEMBL4360617 | 0.53 | — | — | |
| SCHEMBL7935726 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765457-A4 | 3,7-BIS(2-OXOINDOLIN-3-YLIDENE)BENZO[1,2-B:4,5-B']DIFURAN-2,6-DIONE DICYANIDE-BASED MATERIALS AND USES THEREOF IN ORGANIC ELECTRONIC DEVICES | National Research Council of Canada (CA) | 2022-04-06 | — | — | EP | disclosed |
| US-9287504-B2 | Semiconducting polymers | MERCK PATENT GMBH (DE) | 2016-03-15 | — | — | US | disclosed |
| EP-2591038-B1 | SEMICONDUCTING POLYMERS | MERCK PATENT GMBH (DE) | 2014-11-05 | — | — | EP | disclosed |
| US-20130175481-A1 | SEMICONDUCTING POLYMERS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-07-11 | — | — | US | disclosed |
| EP-2591038-A1 | SEMICONDUCTING POLYMERS | Merck Patent GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003918-A1 | SEMICONDUCTING POLYMERS | MERCK PATENT GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |
| US-4680417-A | 2.6-dioxo-2.6-dehydrobenzo[1:2-b,4:5-b]difurans | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-14 | — | — | US | disclosed |