⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6839580 | 0.75 | — | — | |
| SCHEMBL30239892 | 0.75 | — | — | |
| SCHEMBL3652695 | 0.75 | — | — | |
| SCHEMBL19462404 | 0.75 | — | — | |
| SCHEMBL17714362 | 0.75 | — | — | |
| SCHEMBL11985906 | 0.75 | — | — | |
| SCHEMBL10625545 | 0.75 | — | — | |
| SCHEMBL30711647 | 0.73 | CYP3A4 (0.31) | — | |
| SCHEMBL30698353 | 0.73 | GAA (0.33) | — | |
| SCHEMBL18791081 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106459092-B | Compounds for the treatment of spinal muscular atrophy | 豪夫迈·罗氏有限公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-109311902-A | Substituted imidazo [1,2-b] pyridazine, substituted imidazo [1,5-b] pyridazine, related compound and their purposes in treatment medical disorder | 溶酶体治疗股份有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-109071563-A | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108289959-A | Composition for treating Duchenne-Arandisease | 豪夫迈·罗氏有限公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-108137601-A | For treating the compound of amyotrophic lateral sclerosis | 豪夫迈·罗氏有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-104768554-B | Triazol compound | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107820494-A | Nuclear receptor modulators | 艾伯维公司 | 2018-03-20 | — | — | CN | disclosed |
| CN-106459092-A | Compounds for the treatment of spinal muscular atrophy | 豪夫迈·罗氏有限公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-3049418-A1 | IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY | Vertex Pharmaceuticals Incorporated (US) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015048245-A1 | IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-02 | — | — | WO | disclosed |