SCHEMBL5709205

SCHEMBL5709205

C=C(CC)C(=O)OCCCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.38
ACHE P22303 7/20 0.37
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8537810 0.94 TSHR (0.48) TSHRTHRBACHENAAAALDH1A1
SCHEMBL8536455 0.92 TSHR (0.52) TSHRTHRBACHENAAAALDH1A1
SCHEMBL9646938 0.89 TSHR (0.55) TSHRTHRBACHENAAAALDH1A1
SCHEMBL19456885 0.89 TSHR (0.50) TSHRTHRBACHENAAAALDH1A1
SCHEMBL173351 0.87 TSHR (0.41) TSHRTHRBACHENAAAALDH1A1
SCHEMBL375032 0.85 TSHR (0.57) TSHRTHRBACHENAAAALDH1A1
Ethylene Glycol SCHEMBL5469504 0.85 TSHR (0.62) TSHRTHRBACHENAAAALDH1A1
SCHEMBL57345 0.84 THRB (0.50) TSHRTHRBACHENAAAALDH1A1
SCHEMBL31390457 0.84 TSHR (0.47) TSHRTHRBACHENAAAALDH1A1
SCHEMBL374970 0.83 TSHR (0.66) TSHRACHENAAAALDH1A1HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101552-A A kind of copolymer ceramic green body reinforcing agent and its ATRP the preparation methods based on cyclodextrin 湖南辰砾新材料有限公司 2018-06-01 CN claimed
CN-104136012-A Method for preparing nanoparticles loaded with active substance MERCK PATENT GMBH 2014-11-05 CN claimed
CN-1930208-A Compositions useful as coatings, their preparation, and articles made therefrom GEN ELECTRIC (US) 2007-03-14 CN claimed
EP-1709100-A1 COMPOSITIONS USEFUL AS COATINGS, THEIR PREPARATION, AND ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2006-10-11 EP claimed
WO-2005073271-A1 COMPOSITIONS USEFUL AS COATINGS, THEIR PREPARATION, AND ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2005-08-11 WO claimed
US-20050159542-A1 Compositions useful as coatings, their preparation, and articles made therefrom GENERAL ELECTRIC COMPANY 2005-07-21 US claimed
CN-108101552-B Copolymer ceramic body reinforcing agent based on cyclodextrin and ATRP preparation method thereof 湖南辰砾新材料有限公司 2020-03-27 CN disclosed
CN-104136012-B Method for preparing nanoparticles loaded with active substance 默克专利股份有限公司 2019-07-12 CN disclosed
CN-108101552-A A kind of copolymer ceramic green body reinforcing agent and its ATRP the preparation methods based on cyclodextrin 湖南辰砾新材料有限公司 2018-06-01 CN disclosed
CN-104136012-A Method for preparing nanoparticles loaded with active substance MERCK PATENT GMBH 2014-11-05 CN disclosed
CN-103768582-A Neuregulin capable of improving heat function when continually administrated ZENSUN SHANGHAI SCI & TECH CO LTD 2014-05-07 CN disclosed
CN-101394861-A Sustained administration of neuregulin can improve cardiac function ZENSUN SHANGHAI SCIENCE & TECH (CN) 2009-03-25 CN disclosed