⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1114753 | 1.00 | — | — | |
| SCHEMBL1114700 | 1.00 | — | — | |
| SCHEMBL1468146 | 0.70 | — | — | |
| SCHEMBL11474613 | 0.69 | — | — | |
| SCHEMBL1467703 | 0.69 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL11296636 | 0.67 | HCAR2 (0.34) | — | |
| SCHEMBL6430565 | 0.66 | — | — | |
| SCHEMBL7520217 | 0.65 | — | — | |
| SCHEMBL13304484 | 0.64 | — | — | |
| SCHEMBL1469770 | 0.64 | MEN1 (0.49) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102066332-B | For synthesizing the preparation method of the naphthalene-2-base-pyrazoles-3-ketone intermediate of sigma receptor inhibitors | 埃斯蒂维实验室股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| EP-2279175-B1 | PROCESS FOR THE PREPARATION OF NAPHTHALEN-2-YL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTOR INHIBITORS | ESTEVE LABOR DR (ES) | 2015-05-13 | — | — | EP | disclosed |
| US-8329880-B2 | Process for the preparation of naphthalen-2-yl-pyrazol-3-one intermediates useful in the synthesis of sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-12-11 | — | — | US | disclosed |
| CN-102066332-A | Process for the preparation of naphthalen-2-yl-pyrazol-3-one intermediates useful in the synthesis of sigma receptor inhibitors | ESTEVE LABOR DR | 2011-05-18 | — | — | CN | disclosed |
| US-20110071282-A1 | PROCESS FOR THE PREPARATION OF NAPHTHALEN-2-YL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-03-24 | — | — | US | disclosed |
| EP-2279175-A1 | PROCESS FOR THE PREPARATION OF NAPHTHALEN-2-YL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTOR INHIBITORS | Laboratorios del Dr. Esteve S.A. (ES) | 2011-02-02 | — | — | EP | disclosed |
| WO-2009130314-A1 | PROCESS FOR THE PREPARATION OF NAPHTHALEN-2-YL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-10-29 | — | — | WO | disclosed |
| EP-2112139-A1 | Process for the preparation of naphthalen-2-yl-pyrazol-3-one intermediates useful in the synthesis of sigma receptor inhibitors | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-10-28 | — | — | EP | disclosed |