⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1934464 | 0.63 | — | — | |
| SCHEMBL2697903 | 0.49 | — | — | |
| Benzoquinone SCHEMBL27706562 | 0.44 | TDP1 (0.61) | — | |
| SCHEMBL11220178 | 0.43 | — | — | |
| SCHEMBL10638296 | 0.42 | — | — | |
| Tetroquinone SCHEMBL10609095 | 0.38 | KDM4E (1.00) | — | |
| Tetroquinone SCHEMBL565084 | 0.38 | KDM4E (1.00) | — | |
| SCHEMBL27512693 | 0.36 | CA1 (0.57) | — | |
| SCHEMBL9547 | 0.36 | — | — | |
| Water SCHEMBL9336807 | 0.36 | — | — |
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-7442475-B2 | Cyanopyridone derivatives as liquid crystals | MERCK PATENT GMBH (DE) | 2008-10-28 | — | — | US | disclosed |
| US-20060165916-A1 | Cyanopyridone derivatives as liquid crystals | MERCK PATENT GMBH (DE) | 2006-07-27 | — | — | US | disclosed |
| EP-1594842-A1 | CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004074253-A1 | CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS | MERCK PATENT GMBH (DE) | 2004-09-02 | — | — | WO | disclosed |