⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11972770 | 0.84 | — | — | |
| SCHEMBL196583 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL509984 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL9213585 | 0.78 | — | — | |
| SCHEMBL17200849 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL208526 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL11972953 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL9174094 | 0.76 | — | — | |
| SCHEMBL11973149 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL1968724 | 0.71 | ALDH1A1 (0.44) | — |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998540-B2 | Substituted anthracenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-08-16 | — | — | US | claimed |
| US-20100264368-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON-CHEMIE AG (LI) | 2010-10-21 | — | — | US | claimed |
| EP-1896552-B1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON CHEMIE AG (LI) | 2010-05-19 | — | — | EP | claimed |
| US-7442475-B2 | Cyanopyridone derivatives as liquid crystals | MERCK PATENT GMBH (DE) | 2008-10-28 | — | — | US | claimed |
| EP-1896552-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | Tetragon-Chemie AG (LI) | 2008-03-12 | — | — | EP | claimed |
| EP-1644460-B1 | SUBSTITUTED ANTHRACENES | MERCK PATENT GMBH (DE) | 2008-01-30 | — | — | EP | claimed |
| US-20070014934-A1 | Substituted anthracenes | MERCK PATENT GMBH (DE) | 2007-01-18 | — | — | US | claimed |
| WO-2006136345-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON-CHEMIE AG (LI) | 2006-12-28 | — | — | WO | claimed |
| JP-2006523184-A | — | — | 2006-10-12 | — | — | JP | claimed |
| US-7115755-B2 | Reactive mesogenic azulenes | MERCK PATENT GMBH (DE) | 2006-10-03 | — | — | US | claimed |
| EP-1644460-A1 | SUBSTITUTED ANTHRACENES | MERCK PATENT GmbH (DE) | 2006-04-12 | — | — | EP | claimed |
| EP-1594842-A1 | CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 2005-11-16 | — | — | EP | claimed |
| EP-1318183-B1 | Oligomers and Polymers comprising a 2,6-azulene group and their use as charge transport materials | MERCK PATENT GMBH (DE) | 2005-05-18 | — | — | EP | claimed |
| EP-1318185-B1 | Reactive mesogenic azulenes | MERCK PATENT GMBH (DE) | 2005-02-16 | — | — | EP | claimed |
| WO-2005005572-A1 | SUBSTITUTED ANTHRACENES | MERCK PATENT GMBH (DE) | 2005-01-20 | — | — | WO | claimed |
| WO-2004074253-A1 | CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS | MERCK PATENT GMBH (DE) | 2004-09-02 | — | — | WO | claimed |
| US-20030168657-A1 | Reactive mesogenic azulenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2003-09-11 | — | — | US | claimed |
| US-20030122479-A1 | Mono-, oligo- and polymers comprising a 2,6-azulene group and their use as charge transport materials | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2003-07-03 | — | — | US | claimed |
| EP-1318183-A1 | Mono,- oligo- and polymers comprising a 2,6-azulene group and their use as charge transport materials | MERCK PATENT GmbH (DE) | 2003-06-11 | — | — | EP | claimed |
| EP-1318185-A1 | Reactive mesogenic azulenes | MERCK PATENT GmbH (DE) | 2003-06-11 | — | — | EP | claimed |