⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2513328 | 0.92 | — | — | |
| SCHEMBL6904919 | 0.90 | CES2 (0.50) | — | |
| SCHEMBL6903742 | 0.90 | CES2 (0.50) | — | |
| SCHEMBL6903471 | 0.90 | CES2 (0.50) | — | |
| SCHEMBL29083518 | 0.90 | CES2 (0.50) | — | |
| SCHEMBL5828221 | 0.82 | — | — | |
| SCHEMBL28475812 | 0.79 | — | — | |
| SCHEMBL28643476 | 0.78 | — | — | |
| SCHEMBL28847966 | 0.76 | — | — | |
| SCHEMBL27936591 | 0.76 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105237350-A | Butyl alcohol and 2-ethyl hexanol production equipment industrial waste comprehensive utilization method | TIANJIN BOHUA YONGLI CHEMICAL INDUSTRY CO LTD | 2016-01-13 | — | — | CN | claimed |
| CN-109843841-A | Method for producing 2- alkylalkanol | 庄信万丰戴维科技有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-107074806-A | HSP70 modulators and methods of making and using the same | 纪念斯隆-凯特琳癌症中心 | 2017-08-18 | — | — | CN | disclosed |
| CN-103209987-B | substituted nucleotide analogs | 艾丽奥斯生物制药有限公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-205011671-U | Butyl's octanol apparatus for producing industrial waste uses multipurposely device | TIANJIN BOHUA YONGLI CHEMICAL INDUSTRY CO LTD | 2016-02-03 | — | — | CN | disclosed |
| CN-105237350-A | Butyl alcohol and 2-ethyl hexanol production equipment industrial waste comprehensive utilization method | TIANJIN BOHUA YONGLI CHEMICAL INDUSTRY CO LTD | 2016-01-13 | — | — | CN | disclosed |
| CN-103492352-B | Method for carrying out multiphase aldol condensation reactions to obtain mixed alpha,beta-unsaturated aldehydes | OXEA GMBH | 2015-04-15 | — | — | CN | disclosed |
| EP-1122235-B1 | Process for preparing 1,3-alkanediol from epoxide derivative | DAVY PROCESS TECHN LTD (GB) | 2004-09-15 | — | — | EP | disclosed |
| US-6600065-B2 | Process for preparing 3-hydroxyesters from epoxide derivatives | DAVY PROCESS TECHNOLOGY LTD. (GB) | 2003-07-29 | — | — | US | disclosed |
| US-20030109744-A1 | PROCESS FOR PREPARING 3-HYDROXYESTERS FROM EPOXIDE DERIVATIVES | DAVY PROCESS TECHNOLOGY LTD. (GB) | 2003-06-12 | — | — | US | disclosed |
| US-6541414-B2 | For preparing an 1,3-alkanediol through carbonylation of an epoxide derivative | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2003-04-01 | — | — | US | disclosed |
| US-6521801-B2 | Catalytic carbonylation of epoxide derivative includes reacting with alcohol and carbon monoxide to form hydroxyester which is hydrogenated to form diol | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2003-02-18 | — | — | US | disclosed |
| US-6465680-B2 | USING COBALT CATALYST AND PROMOTER | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2002-10-15 | — | — | US | disclosed |
| US-20020099245-A1 | For preparing an 1,3-alkanediol through carbonylation of an epoxide derivative | SAMSUNG ELECTRONICS CO., LTD (KR) | 2002-07-25 | — | — | US | disclosed |
| US-20020065439-A1 | Catalytic carbonylation of epoxide derivative includes reacting with alcohol and carbon monoxide to form hydroxyester which is hydrogenated to form diol | DAVY PROCESS TECHNOLOGY LIMITED (GB) | 2002-05-30 | — | — | US | disclosed |
| US-20020035290-A1 | Process for preparing malonate derivatives or beta -keto esters from epoxide derivatives | SAMSUNG ELECTRONICS CO., LTD. | 2002-03-21 | — | — | US | disclosed |
| US-6348632-B1 | Process for preparing 1,3-alkanediol from epoxide derivative | SAMSUNG ELECTRONICS CO. LTD. (KR) | 2002-02-19 | — | — | US | disclosed |
| EP-1122235-A2 | Process for preparing 1,3-alkanediol from epoxide derivative | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2001-08-08 | — | — | EP | disclosed |
| US-4389529-A | WITH HYDROGEN PEROXIDE, TETRACHLOROACETONE CATALYST | GENERAL ELECTRIC COMPANY (US) | 1983-06-21 | — | — | US | disclosed |
| US-4344887-A | WITH TETRACHLOROACETONE AND HYDROGEN PEROXIDE IN AN ORGANIC SOLVENT | GENERAL ELECTRIC COMPANY (US) | 1982-08-17 | — | — | US | disclosed |