⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14063021 | 1.00 | — | — | |
| SCHEMBL10076730 | 0.76 | — | — | |
| SCHEMBL470137 | 0.76 | — | — | |
| SCHEMBL626293 | 0.76 | — | — | |
| SCHEMBL15220266 | 0.74 | S100A4 (0.32) | — | |
| SCHEMBL4443306 | 0.74 | S100A4 (0.32) | — | |
| SCHEMBL21162264 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL22894477 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL650112 | 0.66 | MAOB (0.35) | — | |
| SCHEMBL10057991 | 0.65 | LMNA (0.35) | — |
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 3 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 |
| EP-2132213-B1 | SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH | UNIV KENTUCKY RES FOUND (US) | 2013-05-15 | — | — | EP | disclosed |
| WO-2008107089-A1 | SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2008-09-12 | — | — | WO | disclosed |