⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5892193 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL9312124 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL9312686 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL11529155 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL6163554 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL1679196 | 0.92 | — | — | |
| SCHEMBL8699670 | 0.81 | CTSL (0.37) | — | |
| SCHEMBL201111 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL11305350 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL217454 | 0.79 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094789-B2 | 5-substituted isoquinoline derivatives | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-08-22 | — | — | US | disclosed |
| 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 |
| EP-1541559-A1 | 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE | Asahi Kasei Pharma Corporation (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-20050020623-A1 | 5-Substituted isoquinoline derivatives | ASAHI KASEI PHARMA CORPORATION (JP) | 2005-01-27 | — | — | US | 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-0818512-B1 | Quinoline derivative and use of same | MITSUI CHEMICALS INC (JP) | 2002-10-02 | — | — | EP | disclosed |
| US-6407242-B1 | REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE | MITSUI CHEMICALS, INC. (JP) | 2002-06-18 | — | — | 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 |
| EP-1125990-A1 | YELLOW COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2001-08-22 | — | — | EP | disclosed |
| US-6132640-A | ZINC COMPLEXES OF QUINOLINE | MITSUI CHEMICALS, INC. (JP) | 2000-10-17 | — | — | US | disclosed |
| WO-1998007720-A1 | SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-26 | — | — | WO | disclosed |
| EP-0818512-A1 | Quinoline derivative and use of same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1998-01-14 | — | — | EP | disclosed |
| US-4909833-A | A 4-chlorophenyl ring substituted in position 1 of a triazolin-5-one ring | NIHON NOHYAKU CO., LTD. (JP) | 1990-03-20 | — | — | US | disclosed |