⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487700 | 0.75 | — | — | |
| SCHEMBL13575067 | 0.74 | — | — | |
| SCHEMBL5411165 | 0.74 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL17755893 | 0.72 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL14922218 | 0.70 | — | — | |
| Acetonitrile SCHEMBL11729852 | 0.69 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL14754352 | 0.69 | — | — | |
| SCHEMBL6049901 | 0.69 | — | — | |
| SCHEMBL2039259 | 0.67 | — | — | |
| SCHEMBL590894 | 0.67 | SMN1; SMN2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114222737-A | Small molecule inhibitor of NF-kB induced kinase | 詹森药业有限公司 | 2022-03-22 | — | — | CN | disclosed |
| EP-2213656-B1 | PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND | NIPPOH CHEMICALS (JP) | 2017-01-18 | — | — | EP | disclosed |
| US-8471053-B2 | Process and apparatus for production of cyanohydrin compound, and process for production of α-hydroxyester compound | NIPPOH CHEMICALS CO., LTD. (JP) | 2013-06-25 | — | — | US | disclosed |
| US-8263796-B2 | Process for production of cyanohydrin compound, and process for production of α-hydroxyester compound | NIPPOH CHEMICALS CO., LTD. (JP) | 2012-09-11 | — | — | US | disclosed |
| US-8207156-B2 | Substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-26 | — | — | US | disclosed |
| US-20110160181-A1 | SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-06-30 | — | — | US | disclosed |
| US-7897589-B2 | Substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-03-01 | — | — | US | disclosed |
| US-20100261929-A1 | PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND | NIPPOH CHEMICALS CO., LTD. (JP) | 2010-10-14 | — | — | US | disclosed |
| US-20100256409-A1 | PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA HYDROXYESTER COMPOUND | NIPPOH CHEMICALS CO., LTD. (JP) | 2010-10-07 | — | — | US | disclosed |
| CN-101827809-A | Process for production of cyanohydrin compound, and process for production of alpha-hydroxyester compound | NIPPOH CHEMICALS (JP) | 2010-09-08 | — | — | CN | disclosed |
| CN-101827810-A | Process and apparatus for production of cyanohydrin compound, and process for production of alpha-hydroxyester compound | NIPPOH CHEMICALS (JP) | 2010-09-08 | — | — | CN | disclosed |
| EP-2213657-A1 | PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA -HYDROXYESTER COMPOUND | Nippoh Chemicals Co., Ltd (JP) | 2010-08-04 | — | — | EP | disclosed |
| EP-2213656-A1 | PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND | Nippoh Chemicals Co., Ltd (JP) | 2010-08-04 | — | — | EP | disclosed |
| US-20070021398-A1 | Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | US | disclosed |