⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27780379 | 0.95 | — | — | |
| SCHEMBL1633153 | 0.94 | — | — | |
| Water SCHEMBL4248672 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9938996 | 0.89 | — | — | |
| SCHEMBL28149541 | 0.80 | — | — | |
| Cyclopropane SCHEMBL28138355 | 0.80 | — | — | |
| Propane SCHEMBL20897637 | 0.80 | — | — | |
| SCHEMBL17634983 | 0.67 | — | — | |
| SCHEMBL14465919 | 0.67 | — | — | |
| SCHEMBL15014657 | 0.67 | — | — |
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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103864661-A | Synthesis process of 2-amino-3-cyano pyrrole derivatives | Hunan huateng pharmaceutical co ltd | 2014-06-18 | — | — | CN | claimed |
| CN-102276530-A | Method for preparing 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one | — | 2011-12-14 | — | — | CN | claimed |
| EP-0679637-B1 | Acetaldehyde derivatives, process for their preparation and their use | HOECHST FRANCE (FR) | 1997-09-10 | — | — | EP | claimed |
| EP-0679637-A1 | Acetaldehyd derivatives, process for their preparation and their use | SOCIETE FRANCAISE HOECHST (FR) | 1995-11-02 | — | — | EP | claimed |
| CN-110088107-A | Compounds, compositions and uses thereof | 赛诺维信制药公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-108884057-A | Crystal form | 阿斯利康(瑞典)有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-108779123-A | Fused tetracyclic compound, its composition and purposes | 泰博生物科技有限公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-108424389-A | A kind of preparation method of Ivabradine impurity | 浙江京新药业股份有限公司 | 2018-08-21 | — | — | CN | disclosed |
| CN-105037259-B | The preparation method of pyranone and Pyridione derivatives | 盐野义制药株式会社 | 2018-03-13 | — | — | CN | disclosed |
| CN-107646035-A | Heterocyclyl methyl thieno uracil as adenosine A 2B receptor antagonists | 拜耳制药股份公司 | 2018-01-30 | — | — | CN | disclosed |
| CN-107406426-A | Cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-104230795-B | The preparation method of pyranone and Pyridione derivatives | 盐野义制药株式会社 | 2017-09-26 | — | — | CN | disclosed |
| CN-1033587-C | Imidazo (1, 2-a) (pyrrolo, thieno or furo) (3, 2-a) azepine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1996-12-18 | — | — | CN | disclosed |
| CN-1033586-C | Imidazo [2, 1-b ] [3] benzazepine derivatives and their use as anti-inflammatory agents | JANSSEN PHARMACEUTICA NV (BE) | 1996-12-18 | — | — | CN | disclosed |
| EP-0679637-A1 | Acetaldehyd derivatives, process for their preparation and their use | SOCIETE FRANCAISE HOECHST (FR) | 1995-11-02 | — | — | EP | disclosed |
| CN-1025582-C | Azole pesticides | SCHERING AGROCHEMICALS LTD (GB) | 1994-08-10 | — | — | CN | disclosed |
| CN-1068116-A | Imidazo [1,2-a] [pyrrolo-, thieno-or furo] [3,2-a] azepine derivative, composition and using method | JANSSEN PHARMACEUTICA NV (BE) | 1993-01-20 | — | — | CN | disclosed |
| CN-1049341-A | AZOLE PESTICIDES | SCHERING AGROCHEMICALS LTD (GB) | 1991-02-20 | — | — | CN | disclosed |
| EP-0132204-B1 | THIOAMIDES, THEIR PREPARATION AND THEIR USES | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1989-07-12 | — | — | EP | disclosed |
| EP-0132204-A2 | Thioamides, their preparation and their uses | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1985-01-23 | — | — | EP | disclosed |