⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL189127 | 0.97 | — | — | |
| SCHEMBL29794266 | 0.95 | — | — | |
| Formic Acid SCHEMBL28260450 | 0.84 | CCR1 (0.43) | — | |
| Formic Acid Methyl Ester SCHEMBL28260422 | 0.81 | CCR1 (0.40) | — | |
| SCHEMBL29843904 | 0.80 | — | — | |
| SCHEMBL1843031 | 0.80 | CCR1 (0.39) | — | |
| SCHEMBL29740319 | 0.71 | CYP19A1 (0.44) | — | |
| SCHEMBL172024 | 0.70 | — | — | |
| SCHEMBL31030 | 0.69 | — | — | |
| SCHEMBL16841 | 0.69 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2215049-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2019-06-12 | — | — | EP | disclosed |
| US-20160362395-A1 | INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | ROCHE PALO ALTO LLC (US) | 2016-12-15 | — | — | US | disclosed |
| US-9440956-B2 | Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2016-09-13 | — | — | US | disclosed |
| CN-102803245-B | As P2X3And/or P2X2/3Antagonistic indole, indazole and benzimidazole aryl amides | HOFFMANN LA ROCHE | 2015-02-11 | — | — | CN | disclosed |
| EP-2445897-B1 | NOVEL INDAZOLE ARYLAMIDES AS P2X3 AND/OR P2X2/3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |
| US-20130267529-A1 | INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | DILLON MICHAEL PATRICK (US) | 2013-10-10 | — | — | US | disclosed |
| CN-103261198-A | 2-arylimidazo[1,2-]pyridazine, 2-phenylimidazo[1,2-a]pyridine, and 2-phenylimidazo[1,2-a]pyrazine derivatives | JIANGSU HENGRUI MEDICINE CO | 2013-08-21 | — | — | CN | disclosed |
| US-8481544-B2 | Antibacterial compositions | BIOTA EUROPE LIMITED (GB) | 2013-07-09 | — | — | US | disclosed |
| US-8476457-B2 | Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2013-07-02 | — | — | US | disclosed |
| US-8389516-B2 | Antibacterial compositions | BIOTA EUROPE LIMITED (GB) | 2013-03-05 | — | — | US | disclosed |
| US-20100324070-A1 | INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | DILLON MICHAEL PATRICK | 2010-12-23 | — | — | US | disclosed |
| US-20100266714-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2010-10-21 | — | — | US | disclosed |
| EP-2215049-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2010-08-11 | — | — | EP | disclosed |
| US-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-04-01 | — | — | US | disclosed |
| WO-2010034671-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | WO | disclosed |
| US-20090197877-A1 | Antibacterial Compositions | PROLYSIS LTD. (GB) | 2009-08-06 | — | — | US | disclosed |
| WO-2009058298-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |
| EP-2034997-A1 | ANTIBACTERIAL COMPOSITIONS | Prolysis Limited (GB) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007148093-A1 | ANTIBACTERIAL COMPOSITIONS | PROLYSIS LTD. (GB) | 2007-12-27 | — | — | WO | disclosed |
| CN-1617871-A | Purine derivatives as purinergic receptor antagonists | VERNALIS RES LTD (GB) | 2005-05-18 | — | — | CN | disclosed |