⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2850585 | 0.91 | ALOX5 (0.31) | — | |
| SCHEMBL2850538 | 0.85 | — | — | |
| SCHEMBL432351 | 0.82 | — | — | |
| SCHEMBL815076 | 0.82 | NOS1 (0.37) | — | |
| SCHEMBL7582845 | 0.81 | — | — | |
| SCHEMBL7582839 | 0.81 | — | — | |
| SCHEMBL1703059 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL11048259 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL6683176 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL21474503 | 0.79 | NOS3 (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-20100264368-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON-CHEMIE AG (LI) | 2010-10-21 | — | — | US | disclosed |
| EP-1896552-B1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON CHEMIE AG (LI) | 2010-05-19 | — | — | EP | disclosed |
| EP-1896552-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | Tetragon-Chemie AG (LI) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006136345-A1 | LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES | TETRAGON-CHEMIE AG (LI) | 2006-12-28 | — | — | WO | disclosed |