⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7927467 | 0.77 | CA1 (0.56) | — | |
| P-Xylene SCHEMBL28087900 | 0.75 | — | — | |
| Formic Acid SCHEMBL10637992 | 0.75 | CYP2A6 (0.84) | — | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305582 | 0.73 | NFE2L2 (0.74) | — | |
| SCHEMBL318786 | 0.73 | NFE2L2 (0.74) | — | |
| P-Xylene SCHEMBL5241939 | 0.73 | CYP2A6 (0.58) | — | |
| SCHEMBL1149391 | 0.73 | CYP2A6 (0.58) | — | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1793692 | 0.73 | NFE2L2 (0.74) | — | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305580 | 0.73 | NFE2L2 (0.74) | — | |
| P-Xylene SCHEMBL29062349 | 0.73 | ACHE (0.57) | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | claimed |
| US-10081601-B2 | Glucocerebrosidase modulators and uses thereof | ALECTOS THERAPEUTICS INC. (CA) | 2018-09-25 | — | — | US | disclosed |
| US-20180009761-A1 | GLUCOCEREBROSIDASE MODULATORS AND USES THEREOF | ALECTOS THERAPEUTICS INC. (CA) | 2018-01-11 | — | — | US | disclosed |
| US-9796680-B2 | Glucocerebrosidase modulators and uses thereof | ALECTOS THERAPEUTICS INC. (CA) | 2017-10-24 | — | — | US | disclosed |
| US-20170029379-A1 | GLUCOCEREBROSIDASE MODULATORS AND USES THEREOF | ALECTOS THERAPEUTICS INC. (CA) | 2017-02-02 | — | — | US | disclosed |
| EP-3087056-A1 | GLUCOCEREBROSIDASE MODULATORS AND USES THEREOF | Alectos Therapeutics Inc. (CA) | 2016-11-02 | — | — | EP | disclosed |
| WO-2015095963-A1 | GLUCOCEREBROSIDASE MODULATORS AND USES THEREOF | ALECTOS THERAPEUTICS INC. (CA) | 2015-07-02 | — | — | WO | disclosed |
| US-20140329746-A1 | METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2014-11-06 | — | — | US | disclosed |
| US-8835654-B2 | Method and compositions for treating amyloid-related diseases | BHI LIMITED PARTNERSHIP (CA) | 2014-09-16 | — | — | US | disclosed |
| US-20120015911-A1 | METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES | BELLUS HEALTH INC. (CA) | 2012-01-19 | — | — | US | disclosed |
| WO-1998057953-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | WO | disclosed |
| EP-0071126-B1 | PROCESS FOR THE MANUFACTURE OF ALDEHYDES | BAYER AG (DE) | 1984-09-12 | — | — | EP | disclosed |
| US-4420435-A | Alpha-hydroxy-phosphonic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1983-12-13 | — | — | US | disclosed |
| EP-0031915-B1 | PROCESS FOR THE PRODUCTION OF HALOALKENES | BAYER AG (DE) | 1983-05-25 | — | — | EP | disclosed |
| EP-0071126-A1 | Process for the manufacture of aldehydes | BAYER AG (DE) | 1983-02-09 | — | — | EP | disclosed |
| US-4358409-A | Preparation of styryl cyclopropane insecticide intermediates | BAYER AKTIENGESELLSCHAFT (DE) | 1982-11-09 | — | — | US | disclosed |
| EP-0019719-B1 | PROCESS FOR PREPARING ALKENES, NOVEL INTERMEDIATES FOR THEIR PREPARATION AND PROCESS FOR PREPARING THEM | BAYER AG (DE) | 1982-07-21 | — | — | EP | disclosed |
| US-4330482-A | Process for the preparation of halogenoalkenes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-18 | — | — | US | disclosed |
| EP-0031915-A1 | Process for the production of haloalkenes | BAYER AG (DE) | 1981-07-15 | — | — | EP | disclosed |
| EP-0019719-A1 | Process for preparing alkenes, novel intermediates for their preparation and process for preparing them | BAYER AG (DE) | 1980-12-10 | — | — | EP | disclosed |