SCHEMBL991443

SCHEMBL991443

COC(=O)CCCCC(=O)CCCl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
KAT2B Q92831 2/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8852250 0.96 TSHR (0.65) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31578986 0.89 TSHR (0.74) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL10021631 0.86 TSHR (0.62) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31578856 0.86 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31579008 0.86 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31578944 0.86 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL11313358 0.86 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL9848297 0.84 TSHR (0.61) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL1363541 0.84
SCHEMBL8038535 0.84 TSHR (0.67) TSHRLMNAALDH1A1KDM4ERECQL

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135328-B2 Process for the enantioselective reduction of 8-chloro-6-oxo-octanoic acid alkyl esters VIATRIS GMBH & CO. KG (DE) 2006-11-14 US claimed
EP-1307577-B1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 8-CHLORO-6-OXO-OCTANOIC ACID ALKYL ESTERS MEDA PHARMA GMBH & CO KG (DE) 2006-10-11 EP claimed
US-20030180896-A1 Method for the enantioselective reduction of 8-chloro-6-oxo-octanoic acid alkyl esters VIATRIS GMBH & CO, KG (DE) 2003-09-25 US claimed
EP-1307577-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 8-CHLORO-6-OXO-OCTANOIC ACID ALKYL ESTERS VIATRIS GmbH & Co. KG (DE) 2003-05-07 EP claimed
WO-2002010422-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 8-CHLORO-6-OXO-OCTANOIC ACID ALKYL ESTERS VIATRIS GMBH & CO. KG (DE) 2002-02-07 WO claimed
CN-118324649-A Preparation method of 8-amino octanoic acid 宜昌东阳光制药有限公司 2024-07-12 CN disclosed
CN-118324649-A Preparation method of 8-amino octanoic acid 宜昌东阳光制药有限公司 2024-07-12 CN disclosed
CN-115948356-A Carbonyl reductase mutant and application thereof in preparation of (R) -8-chloro-6-hydroxyoctanoate compounds 复旦大学 2023-04-11 CN disclosed
CN-106164260-B A kind of Candida carbonyl reductase and the method for being used to prepare (R) -6- hydroxyl -8- chloroctanoic acid ester 华东理工大学 2019-10-01 CN disclosed
US-10294479-B2 Candida carbonyl reductase and method for preparing (R)-lipoic acid precursor EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-05-21 US disclosed
US-20180265875-A1 CANDIDA CARBONYL REDUCTASE AND METHOD FOR PREPARING (R)-LIPOIC ACID PRECURSOR EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-09-20 US disclosed
CN-103451124-B One strain rhodococcus and the purposes for the preparation of optical purity (R)-6-hydroxyl-8-chloroctanoic acid ester and other optical activity chirality alcohol Changshu Research Institute Co., Ltd., East China University of Science and Technology (CN) 2016-02-03 CN disclosed
EP-1307577-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 8-CHLORO-6-OXO-OCTANOIC ACID ALKYL ESTERS VIATRIS GmbH & Co. KG (DE) 2003-05-07 EP disclosed
WO-2003035885-A1 METHOD FOR THE PRODUCTION OF (R)- AND (S)-8-CHLORO-6-HYDROXY-OCTANIC ACID ALKYL ESTERS BY ENZYMATIC REDUCTION VIATRIS GMBH & CO. KG (DE) 2003-05-01 WO disclosed
WO-2002010422-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 8-CHLORO-6-OXO-OCTANOIC ACID ALKYL ESTERS VIATRIS GMBH & CO. KG (DE) 2002-02-07 WO disclosed
US-4966732-A CHEMICAL INTERMEDIATES; TREATMENT OF LIVER DISORDERS DEGUSSA AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0197407-B1 PROCESS FOR THE PREPARATION OF 1,2-DITHIOLAN-3-PENTANOIC ACID (THIOCTIC ACID) ASTA Pharma Aktiengesellschaft (DE) 1989-10-11 EP disclosed
US-4800044-A COENZYME FOR OXIDATIVE DECARBOXYLATION OF PYRUVIC ACID DEGUSSA AG (DE) 1989-01-24 US disclosed
US-4705867-A Process for the production of 1,2-dithiolan-3-pentanoic acid (thioctic acid) and intermediate compounds therefor DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0197407-A2 Process for the preparation of 1,2-dithiolan-3-pentanoic acid (thioctic acid) ASTA Pharma Aktiengesellschaft (DE) 1986-10-15 EP disclosed