⚠ 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28308064 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL8156176 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL9132424 | 0.93 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114669070-A | Method for replacing shell gasket of vertical scraper evaporator | 烟台东化新材料有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-106495999-B | A kind of aromatic aldehyde and its synthetic method | 亳州学院 | 2019-08-16 | — | — | CN | disclosed |
| CN-104926733-B | Compound as ROR gamma modulators | 北京韩美药品有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-104882540-B | Molecular plane parallel to Si/SiO2Preparation method of porphyrin monomolecular layer on surface | 南京工业大学 | 2018-11-06 | — | — | CN | disclosed |
| CN-108129249-A | The synthetic method of pentacene and its derivative | 武汉理工大学 | 2018-06-08 | — | — | CN | disclosed |
| CN-103539753-B | A kind of synthetic method of the isoxazole carboxylic acid of 3 substitution 4 | 上海药明康德新药开发有限公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-106495999-A | A kind of aromatic aldehyde and its synthetic method | 亳州学院 | 2017-03-15 | — | — | CN | disclosed |
| CN-104882540-A | Molecular plane parallel to Si/SiO2Preparation method of porphyrin monomolecular layer on surface | NANJING UNIVERSITY OF TECHNOLOGY | 2015-09-02 | — | — | CN | disclosed |
| CN-101809055-B | Curable resin composition for molded bodies, molded body, and production method thereof | NIPPON CATALYTIC CHEM IND | 2013-10-23 | — | — | CN | disclosed |
| CN-102124037-B | Catalysts for preparing cis 1,4-polydienes | BRIDGESTONE CORP | 2013-09-11 | — | — | CN | disclosed |
| WO-2011133677-A1 | SUPPRESSING CHEMICAL CHANGES IN A LEAD-ACID BATTERY TO IMPROVE ITS CYCLE LIFE | AMTEK RESEARCH INTERNATIONAL, LLC (US) | 2011-10-27 | — | — | WO | disclosed |
| CN-102124037-A | Catalysts for preparing cis 1,4-polydienes | BRIDGESTONE CORP | 2011-07-13 | — | — | CN | disclosed |
| CN-101809055-A | Curable resin composition for molded bodies, molded body, and production method thereof | NIPPON CATALYTIC CHEM IND | 2010-08-18 | — | — | CN | disclosed |
| CN-101433860-A | Catalyst for preparing alcohol as well as preparation method and application | DALIAN INST CHEM & PHYSICS (CN) | 2009-05-20 | — | — | CN | disclosed |
| CN-101259435-A | Polyphase catalyst for preparing alcohol and preparation and application | DALIAN CHEMICAL PHYSICS INST (CN) | 2008-09-10 | — | — | CN | disclosed |
| CN-101258130-A | Isoquinolines as insulin-like growth factor-1 receptor inhibitors | ANALYTECON SA (CH) | 2008-09-03 | — | — | CN | disclosed |