⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8335909 | 0.79 | — | — | |
| SCHEMBL13314133 | 0.75 | — | — | |
| SCHEMBL961615 | 0.74 | — | — | |
| SCHEMBL15782173 | 0.74 | — | — | |
| SCHEMBL17898497 | 0.73 | POLB (0.41) | — | |
| SCHEMBL9547377 | 0.72 | — | — | |
| SCHEMBL19072070 | 0.72 | MCL1 (0.45) | — | |
| SCHEMBL4330761 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL2441916 | 0.69 | — | — | |
| SCHEMBL6586160 | 0.69 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098850-A | A kind of method for synthesizing the piperidones of 1 methyl, 3 nitro, 4 phenyl 2,6 2 | 西安近代化学研究所 | 2017-08-29 | — | — | CN | claimed |
| CN-107098850-A | A kind of method for synthesizing the piperidones of 1 methyl, 3 nitro, 4 phenyl 2,6 2 | 西安近代化学研究所 | 2017-08-29 | — | — | CN | disclosed |
| CN-107098850-A | A kind of method for synthesizing the piperidones of 1 methyl, 3 nitro, 4 phenyl 2,6 2 | 西安近代化学研究所 | 2017-08-29 | — | — | CN | disclosed |
| US-20170233726-A1 | Method for Making an Enriched Library | VIPERGEN APS (DK) | 2017-08-17 | — | — | US | disclosed |
| US-20160195532-A1 | Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines | THE SCRIPPS RESEARCH INSTITUTE | 2016-07-07 | — | — | US | disclosed |
| US-20130288929-A1 | Method for Making an Enriched Library | VIPERGEN (DK) | 2013-10-31 | — | — | US | disclosed |
| CN-101462969-B | Synthesis method of 1-methylamino-1-methoxy-2-nitroethylene | FUJIAN SHENNA BIOENGINEERING CO LTD | 2012-04-25 | — | — | CN | disclosed |
| US-7592332-B2 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592332-B2 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592332-B2 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-20070275946-A1 | Cytokine Inhibitors | AUNGST RONALD A | 2007-11-29 | — | — | US | disclosed |
| US-20070275946-A1 | Cytokine Inhibitors | AUNGST RONALD A | 2007-11-29 | — | — | US | disclosed |
| US-7285545-B2 | N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-10-23 | — | — | US | disclosed |
| US-7285545-B2 | N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-10-23 | — | — | US | disclosed |
| US-7285545-B2 | N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-10-23 | — | — | US | disclosed |
| EP-1745036-A2 | CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005108387-A2 | CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-11-17 | — | — | WO | disclosed |
| US-20050245536-A1 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-11-03 | — | — | US | disclosed |
| CN-86108424-A | The synthetic method of nizatidine | — | 1987-08-05 | — | — | CN | disclosed |
| EP-0230127-A1 | Synthesis of nizatidine | ELI LILLY AND COMPANY (US) | 1987-07-29 | — | — | EP | disclosed |