⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18938603 | 0.71 | — | — | |
| SCHEMBL1995763 | 0.58 | — | — | |
| SCHEMBL1002387 | 0.53 | — | — | |
| Tetrachlorothiophene SCHEMBL433499 | 0.47 | — | — | |
| SCHEMBL3620424 | 0.45 | — | — | |
| SCHEMBL1392210 | 0.44 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.38 | — | — | |
| SCHEMBL29445005 | 0.35 | — | — | |
| SCHEMBL348913 | 0.35 | AHR (0.67) | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.35 | — | — |
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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576543-B1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | ESTEVE LABOR DR (ES) | 2016-12-21 | — | — | EP | claimed |
| US-9181195-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-11-10 | — | — | US | claimed |
| US-20130158029-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | claimed |
| EP-2576543-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | Laboratorios del Dr. Esteve S.A. (ES) | 2013-04-10 | — | — | EP | claimed |
| EP-2395003-A1 | Pyrazole compounds as sigma receptor inhibitors | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-12-14 | — | — | EP | claimed |
| WO-2011147910-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-12-01 | — | — | WO | claimed |
| EP-0177913-B1 | CYCLOHEXENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1990-01-03 | — | — | EP | claimed |
| US-4624696-A | Cyclohexenone derivatives and their use for controlling undesirable plant growth | BASF AKTIENGESELLSCHAFT (DE) | 1986-11-25 | — | — | US | claimed |
| EP-0177913-A1 | Cyclohexenone derivatives, process for their preparation and their use as herbicides | BASF Aktiengesellschaft (DE) | 1986-04-16 | — | — | EP | claimed |
| US-20230190730-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT | JAPAN TOBACCO INC. (JP) | 2023-06-22 | — | — | US | disclosed |
| CN-110078721-B | Triazine-containing pentadiene ketone compound and preparation method and application thereof | 贵州大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-110128408-B | Quinoxaline-containing pentadiene ketoxime ether compounds and preparation method and application thereof | 贵州大学 | 2022-03-25 | — | — | CN | disclosed |
| US-20200101061-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT | JAPAN TOBACCO INC. (JP) | 2020-04-02 | — | — | US | disclosed |
| EP-3406596-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | Japan Tobacco Inc. (JP) | 2018-11-28 | — | — | EP | disclosed |
| EP-0422537-A1 | Cyclohexenone compounds, process for their preparation and their use as herbicides or plant growth regulators | BASF Aktiengesellschaft (DE) | 1991-04-17 | — | — | EP | disclosed |
| EP-0402751-A1 | Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators | BASF Aktiengesellschaft (DE) | 1990-12-19 | — | — | EP | disclosed |
| EP-0399267-A2 | 8-Substituted-4-(heterocyclylmethylamino)-quinolines, their use and drugs prepared from them | BASF Aktiengesellschaft (DE) | 1990-11-28 | — | — | EP | disclosed |
| EP-0177913-B1 | CYCLOHEXENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1990-01-03 | — | — | EP | disclosed |
| US-4624696-A | Cyclohexenone derivatives and their use for controlling undesirable plant growth | BASF AKTIENGESELLSCHAFT (DE) | 1986-11-25 | — | — | US | disclosed |
| EP-0177913-A1 | Cyclohexenone derivatives, process for their preparation and their use as herbicides | BASF Aktiengesellschaft (DE) | 1986-04-16 | — | — | EP | disclosed |