⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1968046 | 1.00 | — | — | |
| SCHEMBL244754 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11435828 | 0.93 | — | — | |
| SCHEMBL2398235 | 0.75 | — | — | |
| SCHEMBL27573931 | 0.73 | — | — | |
| SCHEMBL501453 | 0.72 | — | — | |
| SCHEMBL501452 | 0.72 | — | — | |
| SCHEMBL13451383 | 0.72 | — | — | |
| SCHEMBL11315909 | 0.71 | — | — | |
| SCHEMBL11315912 | 0.71 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1625116-A1 | PROCESS FOR THE PREPARATION OF CARBOSTYRIL DERIVATIVES,SUCH AS ARIPIPRAZOLE AND ITS INTERMEDIATES | Delmar Chemicals Inc. (CA) | 2006-02-15 | — | — | EP | claimed |
| WO-2004099152-A1 | PROCESS FOR THE PREPARATION OF CARBOSTYRIL DERIVATIVES, SUCH AS ARIPIPRAZOLE AND ITS INTERMEDIATES | DELMAR CHEMICALS INC. (CA) | 2004-11-18 | — | — | WO | claimed |
| EP-1636243-B1 | CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES | BOEHRINGER INGELHEIM INT (DE) | 2013-11-06 | — | — | EP | disclosed |
| WO-2012079011-A1 | PURIFICATION OF CIS-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE VIA EXTRACTIVE DISTILLATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |
| US-7396947-B2 | Chiral ligands for application in asymmetric syntheses | LANXESS DEUTSCHLAND GMBH (DE) | 2008-07-08 | — | — | US | disclosed |
| US-20070004927-A1 | Chiral ligands for application in asymmetric syntheses | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-04 | — | — | US | disclosed |
| US-20060161022-A1 | Chiral ligands for application in asymmetric syntheses | LANXESS DEUTSCHLAND GMBH (DE) | 2006-07-20 | — | — | US | disclosed |
| EP-1636243-A2 | CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES | LANXESS Deutschland GmbH (DE) | 2006-03-22 | — | — | EP | disclosed |
| EP-1625116-A1 | PROCESS FOR THE PREPARATION OF CARBOSTYRIL DERIVATIVES,SUCH AS ARIPIPRAZOLE AND ITS INTERMEDIATES | Delmar Chemicals Inc. (CA) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004111063-A2 | CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES | LANXESS DEUTSCHLAND GMBH (DE) | 2004-12-23 | — | — | WO | disclosed |
| WO-2004099152-A1 | PROCESS FOR THE PREPARATION OF CARBOSTYRIL DERIVATIVES, SUCH AS ARIPIPRAZOLE AND ITS INTERMEDIATES | DELMAR CHEMICALS INC. (CA) | 2004-11-18 | — | — | WO | disclosed |
| EP-1180108-A2 | IMIDAZOLIDINE-BASED METAL CARBENE METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000071554-A2 | IMIDAZOLIDINE-BASED METAL CARBENE METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-11-30 | — | — | WO | disclosed |
| EP-0269109-B1 | PROCESS FOR THE PREPARATION OF DIALKYL 2-VINYLCYCLOPROPANE-1,1-DICARBOXYLATES | HENKEL CORPORATION (US) | 1992-08-26 | — | — | EP | disclosed |
| EP-0270006-B1 | EFFICIENT CIS-TO-TRANS ISOMERIZATION OF 1, 4-DIHALOBUTENE-2 | HENKEL CORPORATION (US) | 1991-02-27 | — | — | EP | disclosed |
| US-4781807-A | HYDROGEN BROMIDE CATALYST | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1988-11-01 | — | — | US | disclosed |
| EP-0270006-A1 | Efficient cis-to-trans isomerization of 1, 4-dihalobutene-2 | HENKEL CORPORATION (US) | 1988-06-08 | — | — | EP | disclosed |
| US-4713479-A | Synthesis of high-purity dialkyl 2-vinylcyclopropane-1,1-dicarboxylate | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1987-12-15 | — | — | US | disclosed |