⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25837889 | 0.97 | THRB (0.42) | — | |
| SCHEMBL3281363 | 0.97 | — | — | |
| SCHEMBL3280767 | 0.92 | — | — | |
| SCHEMBL27615968 | 0.77 | THRB (0.38) | — | |
| SCHEMBL6178131 | 0.77 | THRB (0.41) | — | |
| SCHEMBL16994989 | 0.77 | THRB (0.41) | — | |
| SCHEMBL14724824 | 0.74 | ADRB2 (0.41) | — | |
| SCHEMBL6178964 | 0.74 | THRB (0.47) | — | |
| SCHEMBL65046 | 0.74 | — | — | |
| SCHEMBL17416222 | 0.72 | THRB (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215764-A | Preparation method of deuterated aromatic nitrile compound | 浙大宁波理工学院 | 2022-10-21 | — | — | CN | disclosed |
| CN-115215764-A | Preparation method of deuterated aromatic nitrile compound | 浙大宁波理工学院 | 2022-10-21 | — | — | CN | disclosed |
| US-7863250-B2 | An immunostimulatory oligonucleotide having the structure 5'-TCTGTC1GTTCT-X-TCTTGC1TGTCT-5'; wherein X is a glycerol linker and C1 is 1-(2'-deoxy- beta -D-ribofuranosyl)-2-oxo-7-deaza-8-methylpurine; cancer, an autoimmune disorder, airway inflammation, asthma, allergy | IDERA PHARMACEUTICALS, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| WO-2010146449-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF IMIPENAM | ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) | 2010-12-23 | — | — | WO | disclosed |
| US-7851453-B2 | Modulation of immunostimulatory properties of oligonucleotide-based compounds by utilizing modified immunostimulatory dinucleotides | IDERA PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-20100254974-A1 | Modulation of Immunostimulatory Properties of Oligonucleotide-Based Compounds by Optimal Presentation of 5' Ends | IDERA PHARMACEUTICALS, INC. | 2010-10-07 | — | — | US | disclosed |
| US-7595305-B2 | Modulation of immunostimulatory properties of oligonucleotide-based compounds by utilizing modified immunostimulatory dinucleotides | IDERA PHARMACEUTICALS (US) | 2009-09-29 | — | — | US | disclosed |