⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23862813 | 1.00 | — | — | |
| SCHEMBL1003956 | 1.00 | — | — | |
| SCHEMBL643646 | 0.81 | — | — | |
| SCHEMBL19228702 | 0.81 | — | — | |
| SCHEMBL19719762 | 0.79 | TDP1 (0.33) | — | |
| SCHEMBL19188090 | 0.76 | TDP1 (0.35) | — | |
| Butadiene SCHEMBL28176594 | 0.74 | TDP1 (0.38) | — | |
| SCHEMBL25698114 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL8280128 | 0.73 | — | — | |
| SCHEMBL18090228 | 0.72 | TDP1 (0.32) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4327809-A2 | TYK2 INHIBITORS AND USES THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2024-02-28 | — | — | EP | disclosed |
| WO-2022048684-A1 | JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 武汉朗来科技发展有限公司 | 2022-03-10 | — | — | WO | disclosed |
| EP-3027615-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2021-07-21 | — | — | EP | disclosed |
| US-20210147343-A1 | OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO | EPIODYNE, INC. | 2021-05-20 | — | — | US | disclosed |
| US-20210087172-A1 | FACTOR XIIa INHIBITORS | UNIVERSITY OF LEEDS (GB) | 2021-03-25 | — | — | US | disclosed |
| WO-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |
| US-10683269-B2 | 2-cyanoisoindoline derivatives for treating cancer | MISSION THERAPEUTICS LIMITED (GB) | 2020-06-16 | — | — | US | disclosed |
| EP-3466961-A1 | PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF | Li, Min (US) | 2019-04-10 | — | — | EP | disclosed |
| US-10038152-B2 | Organic light-emitting element | CANON KABUSHIKI KAISHA (JP) | 2018-07-31 | — | — | US | disclosed |
| EP-3312174-A1 | METHOD FOR PREPARING TRITYL CANDESARTAN | Zhejiang Huahai Pharmaceutical Co., Ltd (CN) | 2018-04-25 | — | — | EP | disclosed |
| WO-2017155844-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| WO-2017040757-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| US-8778219-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2014-07-15 | — | — | US | disclosed |
| EP-1896478-B1 | Aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2014-05-21 | — | — | EP | disclosed |
| US-20130338389-A1 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2013-12-19 | — | — | US | disclosed |
| US-8535560-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2013-09-17 | — | — | US | disclosed |
| WO-2013085890-A1 | THERAPEUTIC METHODS | GLAXO GROUP LIMITED (GB) | 2013-06-13 | — | — | WO | disclosed |
| WO-2011035518-A1 | PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF | 辽宁利锋科技开发有限公司 (CN) | 2011-03-31 | — | — | WO | disclosed |
| WO-2011008664-A2 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015461-A1 | Ionic Liquids for Separation of Olefin-Paraffin Mixtures | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | US | disclosed |