⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2094999 | 0.79 | — | — | |
| SCHEMBL144391 | 0.78 | — | — | |
| SCHEMBL11576473 | 0.76 | TAS1R3 (0.50) | — | |
| SCHEMBL1316327 | 0.76 | TAS1R3 (0.50) | — | |
| SCHEMBL156450 | 0.75 | — | — | |
| SCHEMBL29352576 | 0.75 | — | — | |
| Fluoride SCHEMBL7597154 | 0.72 | AHR (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL7443104 | 0.72 | AHR (0.48) | — | |
| SCHEMBL293150 | 0.72 | — | — | |
| SCHEMBL1045503 | 0.72 | — | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404036-B2 | Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-03-26 | — | — | US | disclosed |
| US-20110123784-A1 | WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2011-05-26 | — | — | US | disclosed |
| US-20090306376-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME | MITSUI CHEMICALS, INC. (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20070054084-A1 | Optical recording medium and compound used for the same | MITSUI CHEMICALS, INC. (JP) | 2007-03-08 | — | — | US | disclosed |
| CN-1867980-A | Optical recording medium and compound for use in the same | MITSUI CHEMICALS INC (JP) | 2006-11-22 | — | — | CN | disclosed |
| EP-1672626-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2006-06-21 | — | — | EP | disclosed |
| WO-2006002022-A2 | COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA | IMMUSOL INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20040110228-A1 | Combinatorial organic synthesis of unique biologically active compounds | MCALPINE SHELLI R (US) | 2004-06-10 | — | — | US | disclosed |
| US-20040102629-A1 | Thioquinazolinone derivatives and combinatorial libraries thereof | LION BIOSCIENCE, AG. (DE) | 2004-05-27 | — | — | US | disclosed |
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | disclosed |
| US-5925527-A | SCREENING NEW PHARMACEUTICALS | TREGA BIOSCIENCES, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| EP-0923734-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 1999-06-23 | — | — | EP | disclosed |
| US-5840500-A | OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS | TREGA BIOSCIENCES, INC. (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998002741-A9 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | — | 1998-05-22 | — | — | WO | disclosed |
| WO-1998002741-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-01-22 | — | — | WO | disclosed |
| US-4360672-A | Substituted phenoxyphenyl pyridazones, their preparation, and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1982-11-23 | — | — | US | disclosed |