⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4634129 | 0.96 | — | — | |
| SCHEMBL29501847 | 0.72 | — | — | |
| SCHEMBL2617482 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL1981822 | 0.67 | — | — | |
| SCHEMBL1524402 | 0.67 | HPGD (0.31) | — | |
| SCHEMBL3915906 | 0.67 | HPGD (0.31) | — | |
| SCHEMBL1524401 | 0.67 | HPGD (0.31) | — | |
| SCHEMBL1524477 | 0.67 | HPGD (0.31) | — | |
| SCHEMBL1238898 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL442304 | 0.65 | — | — |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3310777-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016205482-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-12-22 | — | — | WO | disclosed |
| EP-3099686-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| US-9309332-B2 | Polymerization catalysts, methods and products | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2016-04-12 | — | — | US | disclosed |
| US-9290526-B2 | Heterocyclyl-pyridinyl-based biphosphonic acid, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2016-03-22 | — | — | US | disclosed |
| US-20150376214-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2015-12-31 | — | — | US | disclosed |
| US-9112094-B2 | Copper tin sulfide and copper zinc tin sulfide ink compositions | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-08-18 | — | — | US | disclosed |
| WO-2015116885-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |
| US-20150118144-A1 | DISPERSIBLE METAL CHALCOGENIDE NANOPARTICLES | E I DU PONT NEMOURS AND COMPANY (US) | 2015-04-30 | — | — | US | disclosed |
| US-8816082-B2 | Heterocyclyl-pyridinyl-based biphosphonic acid, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2014-08-26 | — | — | US | disclosed |
| US-5789335-A | POLYMERIZATION, ISOMERIZATION, ALKYLATION, AND CRACKING CATALYSTS; FREE OF TITANIUM, HAFNIUM, ZIRCONIUM, AND VANADIUM ZIEGLER COMPONENTS | EXXON CHEMICAL PATENTS INC. (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0766660-A1 | CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-04-09 | — | — | EP | disclosed |
| EP-0752916-A1 | SUPPORTED LEWIS ACID CATALYSTS FOR HYDROCARBON CONVERSION REACTIONS | EXXON CHEMICAL PATENTS INC. (US) | 1997-01-15 | — | — | EP | disclosed |
| WO-1995033745-A9 | NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY | — | 1996-01-18 | — | — | WO | disclosed |
| WO-1996000207-A1 | CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-01-04 | — | — | WO | disclosed |
| WO-1995026818-A1 | SUPPORTED LEWIS ACID CATALYSTS FOR HYDROCARBON CONVERSION REACTIONS | EXXON CHEMICAL PATENTS INC. (US) | 1995-10-12 | — | — | WO | disclosed |
| EP-0478780-B1 | METHOD AND DEVICE FOR DETERMINING FIELD OF PRESSURE OF CONTINUOUS FLUID MEDIUM ON THE SURFACE OF AN OBJECT | TS AEROGIDRODINAMICHESKY I IM (RU) | 1995-01-18 | — | — | EP | disclosed |
| EP-0478780-A1 | METHOD AND DEVICE FOR DETERMINING FIELD OF PRESSURE OF CONTINUOUS FLUID MEDIUM ON THE SURFACE OF AN OBJECT | TSENTRALNY AEROGIDRODINAMICHESKY INSTITUT IMENI N.E. ZHUKOVSKOGO (RU) | 1992-04-08 | — | — | EP | disclosed |
| US-4536336-A | New anthracyclinones and their production | MEIJI SEIKA KAISHA, LTD. (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0114001-A1 | New anthracyclinones and their production | MEIJI SEIKA KAISHA LTD. (JP) | 1984-07-25 | — | — | EP | disclosed |