⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21564383 | 1.00 | — | — | |
| SCHEMBL9350054 | 0.79 | — | — | |
| SCHEMBL16560494 | 0.78 | — | — | |
| SCHEMBL24602627 | 0.76 | — | — | |
| SCHEMBL22916518 | 0.76 | — | — | |
| SCHEMBL25619153 | 0.73 | — | — | |
| SCHEMBL23601323 | 0.73 | — | — | |
| SCHEMBL23259497 | 0.73 | — | — | |
| SCHEMBL15150121 | 0.73 | — | — | |
| SCHEMBL24254952 | 0.71 | ALDH1A1 (0.35) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3609868-B1 | TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | RAQUALIA PHARMA INC (JP) | 2023-10-18 | — | — | EP | disclosed |
| US-20210188869-A1 | INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC | 2021-06-24 | — | — | US | disclosed |
| EP-3763706-A1 | PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF | Boehringer Ingelheim Animal Health USA Inc. (US) | 2021-01-13 | — | — | EP | disclosed |
| WO-2020185606-A1 | MACROCYCLIC COMPOUNDS | ZENO MANAGEMENT, INC. (US) | 2020-09-17 | — | — | WO | disclosed |
| WO-2020007938-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-01-09 | — | — | WO | disclosed |
| WO-2018089433-A1 | PHENYL mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2017168454-A2 | NOVEL COMPOUNDS AS BTK INHIBITORS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2017-10-05 | — | — | WO | disclosed |
| WO-2016095833-A1 | 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海海雁医药科技有限公司 | 2016-06-23 | — | — | WO | disclosed |
| WO-2016073633-A1 | SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) | UNIVERSITY OF KANSAS (US) | 2016-05-12 | — | — | WO | disclosed |
| WO-2016012917-A1 | 1,2,3,5-TETRAHYDROIMIDAZO[1,2-C]PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES AND DISORDERS MEDIATED BY LP-PLA2 | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |
| WO-2015026683-A1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2015-02-26 | — | — | WO | disclosed |
| WO-2015024853-A1 | HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2015-02-26 | — | — | WO | disclosed |
| WO-2014137719-A1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2014-09-12 | — | — | WO | disclosed |