⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16785962 | 0.83 | — | — | |
| SCHEMBL15025846 | 0.82 | — | — | |
| SCHEMBL15025956 | 0.81 | — | — | |
| SCHEMBL15026020 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL16785722 | 0.79 | — | — | |
| SCHEMBL17747520 | 0.73 | — | — | |
| SCHEMBL17747511 | 0.73 | — | — | |
| SCHEMBL651648 | 0.71 | — | — | |
| SCHEMBL648632 | 0.71 | DYRK1A (0.33) | — | |
| SCHEMBL650203 | 0.71 | DYRK1A (0.33) | — |
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 2 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 |
| 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 |