⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17772 | 0.82 | — | — | |
| SCHEMBL5037124 | 0.80 | — | — | |
| SCHEMBL11951301 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL16297390 | 0.77 | — | — | |
| SCHEMBL26541313 | 0.76 | — | — | |
| SCHEMBL848769 | 0.73 | MMP2 (0.31) | — | |
| SCHEMBL28144504 | 0.71 | MCL1 (0.31) | — | |
| SCHEMBL2988248 | 0.69 | — | — | |
| SCHEMBL1530212 | 0.68 | — | — | |
| SCHEMBL848744 | 0.68 | CA12 (0.40) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108569969-A | A kind of synthetic method of 3-aminophenylacetylene | 西安格瑞德化工新材料有限公司 | 2018-09-25 | — | — | CN | claimed |
| EP-4368618-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | Betta Pharmaceuticals Co., Ltd (CN) | 2024-05-15 | — | — | EP | disclosed |
| US-20180185486-A1 | PYRROLOBENZODIAZEPINE ANTIBODY DRUG CONJUGATES AND METHODS OF USE | GENENTECH, INC. (US) | 2018-07-05 | — | — | US | disclosed |
| US-20170095570-A1 | PYRROLOBENZODIAZEPINE ANTIBODY DRUG CONJUGATES AND METHODS OF USE | GENENTECH, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| WO-2014200885-A1 | PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2014-12-18 | — | — | WO | disclosed |
| US-7858804-B2 | Process for making cytokine inhibiting compounds containing 4- and 5-imidazolyl rings and the intermediates thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-28 | — | — | US | disclosed |
| US-20090137815-A1 | Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | US | disclosed |
| EP-1725544-B1 | 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-05-27 | — | — | EP | disclosed |
| US-7514458-B2 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-04-07 | — | — | US | disclosed |
| EP-1887003-A1 | 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2008-02-13 | — | — | EP | disclosed |
| US-20070142371-A1 | Anti-Cytokine Heterocyclic Compounds | COGAN DEREK | 2007-06-21 | — | — | US | disclosed |
| US-7214802-B2 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| EP-1725544-A1 | 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-11-29 | — | — | EP | disclosed |
| US-20060079519-A1 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-04-13 | — | — | US | disclosed |
| WO-2005090333-A1 | 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-29 | — | — | WO | disclosed |