⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6514729 | 0.80 | PRKCA (0.33) | — | |
| SCHEMBL5016853 | 0.77 | — | — | |
| SCHEMBL31042731 | 0.74 | — | — | |
| SCHEMBL22557953 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL321296 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1050079 | 0.72 | — | — | |
| SCHEMBL423208 | 0.72 | — | — | |
| SCHEMBL4265048 | 0.72 | — | — | |
| SCHEMBL329028 | 0.71 | CA2 (0.36) | — | |
| SCHEMBL28601036 | 0.70 | — | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874292-A | Multi-target chimeric peptide compound, preparation method and application thereof | 南通大学 | 2022-08-09 | — | — | CN | claimed |
| CN-116640100-A | Solid-phase synthesis method of fluororalrana | 河北圣雪大成制药有限责任公司 | 2023-08-25 | — | — | CN | disclosed |
| CN-109153703-B | Immunomodulator | 百时美施贵宝公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-114874292-A | Multi-target chimeric peptide compound, preparation method and application thereof | 南通大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-107223129-B | Immunomodulator | 百时美施贵宝公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-107207568-B | Immunomodulator | 百时美施贵宝公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-106999536-B | Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions | 百时美施贵宝公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-111051332-A | Immunomodulator | 百时美施贵宝公司 | 2020-04-21 | — | — | CN | disclosed |
| EP-3099694-A1 | COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015113451-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2015-08-06 | — | — | WO | disclosed |
| US-7498337-B2 | Acid secretion inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-03-03 | — | — | US | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |
| EP-1919865-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| US-20070060623-A1 | antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-15 | — | — | US | disclosed |
| WO-2007026916-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-08 | — | — | WO | disclosed |
| EP-1027370-A2 | A METHOD FOR MAPPING THE ACTIVE SITES BOUND BY ENZYMES THAT COVALENTLY MODIFY SUBSTRATE MOLECULES | PEPTIDE THERAPEUTICS LIMITED (GB) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999023109-A2 | A METHOD FOR MAPPING THE ACTIVE SITES BOUND BY ENZYMES THAT COVALENTLY MODIFY SUBSTRATE MOLECULES | PEPTIDE THERAPEUTICS LIMITED (GB) | 1999-05-14 | — | — | WO | disclosed |
| CN-1088211-A | Two indoles and compound | SCHERING CORP (US) | 1994-06-22 | — | — | CN | disclosed |
| CN-1024626-C | Tetrahydrobenz [c,d] indole serotonin agonists | LILLY CO ELI (US) | 1994-05-25 | — | — | CN | disclosed |
| CN-1046330-A | Tetrahydro benzo [c, d] indole serotonin stimulant | LILLY CO ELI (US) | 1990-10-24 | — | — | CN | disclosed |