⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7541566 | 0.79 | — | — | |
| SCHEMBL10893693 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL1567792 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL10454311 | 0.79 | CES1 (0.47) | — | |
| SCHEMBL672981 | 0.76 | — | — | |
| SCHEMBL1568142 | 0.73 | — | — | |
| SCHEMBL1929717 | 0.73 | — | — | |
| SCHEMBL11192124 | 0.73 | — | — | |
| SCHEMBL12097248 | 0.73 | — | — | |
| SCHEMBL17185615 | 0.73 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3131897-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2022-06-15 | — | — | EP | disclosed |
| CN-110382609-B | Studless tire | 住友橡胶工业株式会社 | 2022-03-22 | — | — | CN | disclosed |
| CN-107531819-B | Catalyst composition for preparing conjugated diene-based polymer and conjugated diene-based polymer prepared using the same | LG化学株式会社 | 2020-05-12 | — | — | CN | disclosed |
| CN-107531820-B | Catalyst composition for preparing conjugated diene-based polymer and conjugated diene-based polymer prepared using the same | LG化学株式会社 | 2020-05-12 | — | — | CN | disclosed |
| EP-3131896-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2019-01-30 | — | — | EP | disclosed |
| US-9969724-B2 | Factor IXa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-15 | — | — | US | disclosed |
| US-9808445-B2 | Factor IXa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-07 | — | — | US | disclosed |
| US-20170129880-A1 | FACTOR IXa INHIBITORS | MERCK SHARP & DOHME LLC | 2017-05-11 | — | — | US | disclosed |
| EP-3131896-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-3131897-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-22 | — | — | EP | disclosed |
| US-20170027916-A1 | FACTOR IXa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-02-02 | — | — | US | disclosed |
| WO-2015160636-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015160634-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| US-7378522-B2 | Such as 6-(4-Acetamidophenoxy)-5-(N-benzyl-N-methylaminomethyl)-1-(2',6'-difluorobenzyl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid-ethyl ester; rapid effectiveness, bioavailability; low cost, simple synthesis | ZENTARIS AG (DE) | 2008-05-27 | — | — | US | disclosed |
| US-20050004127-A1 | Quinoline, isoquinoline and phthalazine derivatives as antagonists of the gonadotropin-releasing hormone | AETERNA ZENTARIS GMBH (DE) | 2005-01-06 | — | — | US | disclosed |
| US-6790858-B2 | HIGH EFFECTIVENESS AND HIGH ORAL BIOAVAILABILITY; FOR EXAMPLE, 6-(4-ACETAMIDOPHENYL)-3-ISOBUTYRYL-5-(N-BENZYL-N-METHYLAMINOMETHYL)-1-(2',6'-DIFLUOROBENZYL)-1,4-DIHYDRO-4-OXOQUINOLINE | ZENTARIS AG (DE) | 2004-09-14 | — | — | US | disclosed |
| US-20030105328-A1 | Quinoline, isoquinoline and phthalazine derivatives as antagonists of the gonadotropin-releasing hormone | SCHERING AG (DE) | 2003-06-05 | — | — | US | disclosed |
| US-4285961-A | MICROBIOCIDES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-08-25 | — | — | US | disclosed |