⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16785726 | 0.85 | — | — | |
| SCHEMBL15069905 | 0.84 | — | — | |
| SCHEMBL16785962 | 0.78 | — | — | |
| SCHEMBL15069879 | 0.77 | — | — | |
| SCHEMBL12240215 | 0.73 | — | — | |
| SCHEMBL15827301 | 0.71 | — | — | |
| SCHEMBL19531791 | 0.70 | — | — | |
| SCHEMBL18435069 | 0.70 | — | — | |
| SCHEMBL19531798 | 0.70 | — | — | |
| SCHEMBL18843102 | 0.68 | ATM (0.31) | — |
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-20130161568-A1 | Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-27 | — | — | US | disclosed |
| US-20130161568-A1 | Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-27 | — | — | US | disclosed |