⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1783345 | 0.80 | — | — | |
| SCHEMBL4865125 | 0.80 | — | — | |
| Hydrogen Peroxide SCHEMBL27141842 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL28605739 | 0.76 | — | — | |
| SCHEMBL4619432 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL7159941 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL7159946 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL10974684 | 0.73 | TDP1 (0.32) | — | |
| SCHEMBL16986440 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL10974682 | 0.73 | TDP1 (0.32) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0604301-B1 | p-Di[2-chloroethyl)amino]phenylalanine derivatives process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1996-05-29 | — | — | EP | claimed |
| CN-114341110-A | Aminothiol ester compound and use thereof | 高级生物设计公司 | 2022-04-12 | — | — | CN | disclosed |
| US-9382242-B2 | Preparation and use of compounds as protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| EP-1996548-B1 | SIGMA RECEPTOR COMPOUNDS | ESTEVE LABOR DR (ES) | 2016-01-06 | — | — | EP | disclosed |
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | PHARMACOPEIA, LLC | 2014-07-24 | — | — | US | disclosed |
| US-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| EP-2345411-B1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| US-8492563-B2 | 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-07-23 | — | — | US | disclosed |
| US-8481567-B2 | Sigma receptor compounds | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-07-09 | — | — | US | disclosed |
| US-8394797-B2 | Substituted pyrazole sigma receptor antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-03-12 | — | — | US | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |
| EP-1896032-A2 | THE PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-03-12 | — | — | EP | disclosed |
| US-20070232585-A1 | Sigma Receptor Inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-10-04 | — | — | US | disclosed |
| WO-2007098961-A1 | 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007098962-A1 | SIGMA RECEPTOR COMPOUNDS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2007-09-07 | — | — | WO | disclosed |
| EP-1829869-A1 | 4,5,6,7-Tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-05 | — | — | EP | disclosed |
| EP-1781619-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006138265-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS, PREPARATION AND USE THEREOF | SCHERING CORPORATION (US) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006021463-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-03-02 | — | — | WO | disclosed |
| US-5424464-A | Used for treating leukemia | ADIR ET COMPAGNIE (FR) | 1995-06-13 | — | — | US | disclosed |