⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9470465 | 0.94 | CCR5 (0.32) | — | |
| SCHEMBL678278 | 0.87 | — | — | |
| SCHEMBL1222874 | 0.75 | — | — | |
| SCHEMBL19995791 | 0.75 | — | — | |
| SCHEMBL834351 | 0.72 | — | — | |
| SCHEMBL3992369 | 0.69 | — | — | |
| SCHEMBL12171340 | 0.67 | — | — | |
| SCHEMBL14968292 | 0.67 | — | — | |
| SCHEMBL18810548 | 0.66 | — | — | |
| SCHEMBL1711815 | 0.65 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4028125-A1 | NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2022-07-20 | — | — | EP | claimed |
| CN-114423747-A | Novel quinoline compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2022-04-29 | — | — | CN | claimed |
| WO-2021048200-A1 | NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2021-03-18 | — | — | WO | claimed |
| EP-4028125-A1 | NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2022-07-20 | — | — | EP | disclosed |
| CN-114423747-A | Novel quinoline compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2022-04-29 | — | — | CN | disclosed |
| WO-2021048200-A1 | NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2021-03-18 | — | — | WO | disclosed |
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100093668-A1 | N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-15 | — | — | US | disclosed |
| US-20100069417-A1 | NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |
| US-7504432-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-03-17 | — | — | US | disclosed |
| US-20070129397-A1 | Ester derivatives | MSD K.K. (JP) | 2007-06-07 | — | — | US | disclosed |
| US-7192969-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050065211-A1 | Ester derivatives | MSD K.K. (JP) | 2005-03-24 | — | — | US | disclosed |
| EP-1302458-A1 | ESTER DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |