⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5280142 | 0.97 | — | — | |
| SCHEMBL451714 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL782363 | 0.75 | — | — | |
| SCHEMBL9642490 | 0.75 | — | — | |
| SCHEMBL5825706 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL23903753 | 0.73 | GLRA1 (0.35) | — | |
| SCHEMBL18822178 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL16668503 | 0.73 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL16668584 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL3668666 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117393785-A | Catalytic layer coating film and preparation method thereof | 上海明天观谛氢能科技有限公司 | 2024-01-12 | — | — | CN | claimed |
| CN-114029043-B | Preparation method of composite photocatalytic material | 武汉工程大学 | 2024-04-23 | — | — | CN | disclosed |
| CN-116565240-B | PtLn alloy catalyst supported by rare earth metal Ln doped NC carrier, and preparation method and application thereof | 哈尔滨工业大学 | 2024-03-19 | — | — | CN | disclosed |
| US-20240067629-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2024-02-29 | — | — | US | disclosed |
| CN-117393785-A | Catalytic layer coating film and preparation method thereof | 上海明天观谛氢能科技有限公司 | 2024-01-12 | — | — | CN | disclosed |
| US-11753399-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2023-09-12 | — | — | US | disclosed |
| CN-116565240-A | PtLn alloy catalyst supported by rare earth metal Ln doped NC carrier, and preparation method and application thereof | 哈尔滨工业大学 | 2023-08-08 | — | — | CN | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| EP-1802637-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-10-15 | — | — | EP | disclosed |
| EP-1802637-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-10-15 | — | — | EP | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |
| EP-1802637-A1 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006044504-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |