⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL470137 | 1.00 | — | — | |
| SCHEMBL14063021 | 0.76 | — | — | |
| SCHEMBL4436652 | 0.76 | S100A4 (0.32) | — | |
| SCHEMBL15220266 | 0.76 | S100A4 (0.32) | — | |
| SCHEMBL14063085 | 0.76 | — | — | |
| SCHEMBL4443306 | 0.76 | S100A4 (0.32) | — | |
| SCHEMBL12447700 | 0.69 | MAPK14 (0.35) | — | |
| SCHEMBL14944394 | 0.67 | — | — | |
| SCHEMBL10057991 | 0.66 | LMNA (0.35) | — | |
| SCHEMBL10076730 | 0.66 | — | — |
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-9306172-B2 | Anthra[2,3-b:7,6-b']dithiophene derivatives and their use as organic semiconductors | MERCK PATENT GMBH (DE) | 2016-04-05 | — | — | US | disclosed |
| EP-2603499-A2 | ANTHRA[2,3-B:7,6-B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS | Merck Patent GmbH (DE) | 2013-06-19 | — | — | EP | disclosed |
| US-20130146818-A1 | Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-13 | — | — | US | disclosed |
| WO-2012019683-A2 | ANTHRA[2,3-B:7,6-B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2012-02-16 | — | — | WO | disclosed |