⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9077911 | 0.94 | — | — | |
| SCHEMBL14363704 | 0.80 | — | — | |
| SCHEMBL14016706 | 0.80 | — | — | |
| SCHEMBL19012030 | 0.78 | ALOX5 (0.30) | — | |
| SCHEMBL12546606 | 0.75 | — | — | |
| SCHEMBL16863853 | 0.75 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.74 | RXFP1 (0.33) | — | |
| SCHEMBL14016756 | 0.74 | — | — | |
| SCHEMBL15853284 | 0.73 | — | — | |
| SCHEMBL16249941 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3433236-B1 | CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| EP-1262469-B1 | POLYACENE DERIVATIVES AND PRODUCTION THEREOF | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-01-11 | — | — | EP | disclosed |
| US-7901594-B2 | Electroconductivity | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20030116755-A1 | Polyacene derivatives and production thereof | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2003-06-26 | — | — | US | disclosed |
| EP-1262469-A1 | POLYACENE DERIVATIVES AND PRODUCTION THEREOF | Japan Science and Technology Corporation (JP) | 2002-12-04 | — | — | EP | disclosed |