⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1661387 | 1.00 | — | — | |
| SCHEMBL992118 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1180055 | 0.98 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL1467735 | 0.98 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL1179782 | 0.98 | ALDH1A1 (0.59) | — | |
| SCHEMBL2637184 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL689749 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL805212 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL20276631 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL46774 | 0.85 | ALDH1A1 (0.55) | — |
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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | claimed |
| EP-1888565-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-02-20 | — | — | EP | claimed |
| WO-2006110884-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-10-19 | — | — | WO | claimed |
| EP-4711366-A1 | PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF | Mindrank AI Ltd. (CN) | 2026-03-18 | — | — | EP | disclosed |
| US-12565498-B2 | β-lactamase inhibitors and their preparation | NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) | 2026-03-03 | — | — | US | disclosed |
| EP-4688790-A1 | MACROCYCLIC RAS INHIBITORS | Revolution Medicines, Inc. (US) | 2026-02-11 | — | — | EP | disclosed |
| US-20260027108-A1 | PHARMACEUTICAL COMPOSITION OF HETEROARYL DERIVATIVE AND MEDICAL USE THEREOF | HAISCO PHARMACEUTICAL GROUP CO LTD (CN) | 2026-01-29 | — | — | US | disclosed |
| US-20260028353-A1 | MACROCYCLIC RAS INHIBITORS | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT | 2026-01-29 | — | — | US | disclosed |
| EP-4674484-A2 | THIENOPYRROLE COMPOUNDS | Gilead Sciences, Inc. (US) | 2026-01-07 | — | — | EP | disclosed |
| US-20250353841-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | HUFF SARAH ELIZABETH (US) | 2025-11-20 | — | — | US | disclosed |
| EP-4620948-A1 | LIPID COMPOUND AND COMPOSITION FOR DELIVERY OF ACTIVE SUBSTANCE | Korea Research Institute of Bioscience and Biotechnology (KR) | 2025-09-24 | — | — | EP | disclosed |
| US-20110034444-A1 | SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-10 | — | — | US | disclosed |
| WO-2010072352-A1 | 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | ALMIRALL S.A. (ES) | 2010-07-01 | — | — | WO | disclosed |
| US-7579341-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| EP-1989200-B1 | [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | LILLY CO ELI (US) | 2009-07-29 | — | — | EP | disclosed |
| US-7547691-B2 | [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases | ELI LILLY AND COMPANY (US) | 2009-06-16 | — | — | US | disclosed |
| US-20080306082-A1 | [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases | ELI LILLY AND COMPANY | 2008-12-11 | — | — | US | disclosed |
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | disclosed |
| US-7220734-B2 | 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2007-05-22 | — | — | US | disclosed |
| US-20070049581-A1 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-01 | — | — | US | disclosed |