⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5686967 | 0.97 | — | — | |
| SCHEMBL2488559 | 0.80 | — | — | |
| SCHEMBL1773380 | 0.74 | — | — | |
| SCHEMBL15081202 | 0.73 | — | — | |
| SCHEMBL15402658 | 0.72 | — | — | |
| SCHEMBL4077275 | 0.72 | CES2 (0.43) | — | |
| SCHEMBL15403425 | 0.72 | — | — | |
| SCHEMBL15403212 | 0.72 | — | — | |
| SCHEMBL15402943 | 0.72 | — | — | |
| SCHEMBL245799 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2684870-A1 | METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER | Sumitomo Chemical Company Limited (JP) | 2014-01-15 | — | — | EP | disclosed |
| CN-100422124-C | Fused ring compound | DAINIPPON INK & CHEMICALS (JP) | 2008-10-01 | — | — | CN | disclosed |
| US-7067179-B1 | Fused ring compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1201632-B1 | FUSED RING COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2006-03-29 | — | — | EP | disclosed |
| CN-1223561-C | Compound having tetrahydronalphthalene skeleton and liquid crystal compsn. contg. same | DAINIPPON INK & CHEMICALS (JP) | 2005-10-19 | — | — | CN | disclosed |
| EP-1191008-B1 | COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | DAINIPPON INK & CHEMICALS (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-6746728-B1 | SUPERIOR LIQUID CRYSTALLINITY AND CO-SOLUBILITY WITH CURRENTLY USED LIQUID CRYSTAL COMPOUNDS; TEMPERATURE RANGE OVER WHICH LIQUID CRYSTALLINITY IS SHOWN IS BROAD; THRESHOLD VOLTAGE IS LOW; CAPABLE OF HIGH SPEED RESPONSE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2004-06-08 | — | — | US | disclosed |
| CN-1356969-A | Compound having tetrahydronalphthalene skeleton and liquid crystal compsn. contg. same | DAINIPPON INK & CHEMICALS (JP) | 2002-07-03 | — | — | CN | disclosed |
| EP-1201632-A1 | FUSED RING COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-05-02 | — | — | EP | disclosed |
| EP-1191008-A1 | COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-03-27 | — | — | EP | disclosed |