⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8912638 | 0.82 | ALOX15 (0.73) | — | |
| SCHEMBL8912632 | 0.82 | ALOX15 (0.73) | — | |
| SCHEMBL8046495 | 0.81 | ALOX15 (0.42) | — | |
| SCHEMBL11421072 | 0.80 | ALOX15 (0.71) | — | |
| SCHEMBL6913629 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL113776 | 0.79 | — | — | |
| SCHEMBL1871028 | 0.79 | ALDH1A1 (0.65) | — | |
| SCHEMBL9544217 | 0.77 | — | — | |
| SCHEMBL9544224 | 0.77 | — | — | |
| Hydrogen Peroxide SCHEMBL31395241 | 0.77 | ALDH1A1 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| EP-0786701-A1 | RESIST COMPOSITION | NIPPON ZEON CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |
| US-5639919-A | REARRANGEMENT USING HYDROBROMIC ACID OR POTASSIUM CARBONATE | RHONE-POULENC NUTRITION ANIMALE (FR) | 1997-06-17 | — | — | US | disclosed |
| US-5563297-A | CATALYTIC REARRANGEMENT OF A CARBONATE COMPOUND | RHONE-POULENC NUTRITION ANIMALE (FR) | 1996-10-08 | — | — | US | disclosed |
| US-5424464-A | Used for treating leukemia | ADIR ET COMPAGNIE (FR) | 1995-06-13 | — | — | US | disclosed |
| EP-0634895-A1 | HERBICIDES | ZENECA LIMITED (GB) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993019599-A1 | HERBICIDES | ZENECA LIMITED (GB) | 1993-10-14 | — | — | WO | disclosed |
| WO-1991000301-A1 | (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES | AKZO N.V. (NL) | 1991-01-10 | — | — | WO | disclosed |