⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16053240 | 0.88 | — | — | |
| SCHEMBL1221805 | 0.88 | OPRM1 (0.34) | — | |
| SCHEMBL1691738 | 0.82 | GBA1 (0.33) | — | |
| SCHEMBL4793054 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL21115811 | 0.80 | OPRM1 (0.33) | — | |
| SCHEMBL11430167 | 0.80 | OPRM1 (0.33) | — | |
| SCHEMBL4814952 | 0.78 | CYP1A2 (0.36) | — | |
| SCHEMBL24354672 | 0.75 | — | — | |
| SCHEMBL19509966 | 0.66 | — | — | |
| SCHEMBL23251402 | 0.64 | CYP1A2 (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100286191-A1 | 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2010-11-11 | — | — | US | disclosed |
| US-20090143413-A1 | Thiazole Derivatives as CXCR3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-06-04 | — | — | US | disclosed |
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| EP-1988900-A2 | PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| EP-1962605-A2 | 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| EP-1957076-A2 | THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007100610-A2 | PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007070433-A2 | 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2007064553-A2 | THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-06-07 | — | — | WO | disclosed |
| US-20040018458-A1 | Photothermographic material | FUJIFILM CORPORATION (JP) | 2004-01-29 | — | — | US | disclosed |
| US-4977161-A | ANTILIPEMIC AGENTS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1990-12-11 | — | — | US | disclosed |