⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10949142 | 0.75 | — | — | |
| SCHEMBL18332850 | 0.69 | — | — | |
| SCHEMBL28648252 | 0.67 | — | — | |
| SCHEMBL911212 | 0.63 | — | — | |
| SCHEMBL8535726 | 0.63 | — | — | |
| SCHEMBL1715235 | 0.61 | — | — | |
| SCHEMBL1407498 | 0.61 | — | — | |
| SCHEMBL998846 | 0.61 | — | — | |
| SCHEMBL11601750 | 0.60 | — | — | |
| Tert-Butanol SCHEMBL2797031 | 0.60 | TSHR (0.69) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7091261-B1 | Yellow hue compound and aqueous ink for ink-jet recording system using the same | MITSUI CHEMICALS, INC. (JP) | 2006-08-15 | — | — | US | disclosed |
| EP-1174477-B1 | ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND | MITSUI CHEMICALS INC (JP) | 2006-04-26 | — | — | EP | disclosed |
| CN-1218001-C | Yellow toner compound and aqueous ink for ink-jet recording apparatus using the same | MITSUI CHEMICALS INC (JP) | 2005-09-07 | — | — | CN | disclosed |
| EP-1055712-B1 | Aqueous ink for ink jet recording | MITSUI CHEMICALS INC (JP) | 2005-02-16 | — | — | EP | disclosed |
| US-6800674-B2 | WATER RESISTANCE AND ALSO IN LIGHT FASTNESS AND COMPATIBILITY WITH A RESIN; STORAGE STABILITY; FOR FORMING HIGH-QUALITY UNBLOTTED IMAGE | MITSUI CHEMICALS, INC. (JP) | 2004-10-05 | — | — | US | disclosed |
| US-20030078318-A1 | Anthraquinone compound and water-based ink-jet recording ink containing the compound | MITSUI CHEMICALS, INC. (JP) | 2003-04-24 | — | — | US | disclosed |
| EP-1174477-A1 | ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2002-01-23 | — | — | EP | disclosed |
| CN-1322227-A | Yellow toner compound and aqueous ink for ink-jet recording apparatus using the same | MITSUI CHEMICALS INC (JP) | 2001-11-14 | — | — | CN | disclosed |
| EP-1125990-A1 | YELLOW COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2001-08-22 | — | — | EP | disclosed |
| EP-1055712-A2 | Aqueous ink for ink jet recording | Mitsui Chemicals, Inc. (JP) | 2000-11-29 | — | — | EP | disclosed |