⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31466604 | 0.78 | — | — | |
| SCHEMBL28300883 | 0.75 | — | — | |
| Carbon Tetrachloride SCHEMBL11857426 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL15308105 | 0.72 | PIK3CD (0.32) | — | |
| SCHEMBL420440 | 0.72 | — | — | |
| SCHEMBL90649 | 0.69 | — | — | |
| SCHEMBL17772539 | 0.69 | — | — | |
| SCHEMBL6105996 | 0.69 | — | — | |
| SCHEMBL7629141 | 0.67 | — | — | |
| SCHEMBL11025150 | 0.67 | — | — |
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-4526962-A | Cephalosporin derivatives | RHONE-POULENC SANTE (FR) | 1985-07-02 | — | — | US | claimed |
| EP-1780202-B1 | QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT | MEIJI SEIKA PHARMA CO LTD (JP) | 2013-02-27 | — | — | EP | disclosed |
| US-8138182-B2 | Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138182-B2 | Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-7880006-B2 | 4-Acetoxy-5-chloro-6-(4-chlorophenoxy)-2,3-dimethyl-quinoline, used as agricultural and horticultural insecticides | MEIJI SEIKA KAISHA, LTD. (JP) | 2011-02-01 | — | — | US | disclosed |
| US-20100087442-A1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD (JP) | 2010-04-08 | — | — | US | disclosed |
| US-20100087442-A1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD (JP) | 2010-04-08 | — | — | US | disclosed |
| US-20070203181-A1 | Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient | MEIJI SEIKA KAISHA, LTD. (JP) | 2007-08-30 | — | — | US | disclosed |
| EP-1780202-A1 | QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT | MEIJI SEIKA KAISHA LTD. (JP) | 2007-05-02 | — | — | EP | disclosed |
| US-4322037-A | Aerosol can, having a super-fine atomization valve, with a filling which contains a propellant, process for its manufacture, and its use | HANS SCHWARZKOPF GMBH (DE) | 1982-03-30 | — | — | US | disclosed |