SCHEMBL3387740

SCHEMBL3387740

C=CC(=O)OC(C)CCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
APP P05067 1/20 0.31
FAAH O00519 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3391695 0.90 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9313881 0.88 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28190569 0.88 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28082548 0.83 TSHR (0.34) TSHRHPGDALDH1A1CYP3A4
SCHEMBL29966916 0.83 TSHR (0.32) TSHRHPGDALDH1A1CYP3A4
SCHEMBL19456974 0.82 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4FAAH
SCHEMBL6557557 0.82 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4FAAH
SCHEMBL28082497 0.82 TSHR (0.33) TSHRHPGDALDH1A1CYP3A4FAAH
Methacrylic Acid SCHEMBL9300214 0.81 TSHR (0.34) TSHR
SCHEMBL4776185 0.81 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153749-B Polymer, method for producing polymer, and polymeric flocculant 三菱化学株式会社 2021-03-09 CN disclosed
WO-2021015190-A1 POWDER COMPOSITION AND USE OF SAME 日本製紙株式会社 2021-01-28 WO disclosed
WO-2020195910-A1 SOLID-STATE CEMENT DISPERSANT, METHOD FOR PRODUCING SAME AND CEMENT COMPOSITION 日本製紙株式会社 2020-10-01 WO disclosed
EP-2831011-A1 COPOLYMER FOR DISPERSANT FOR CEMENT, DISPERSANT FOR CEMENT, AND CEMENT COMPOSITION Technische Universität München (DE) 2015-02-04 EP disclosed
WO-2013144332-A1 COPOLYMER FOR DISPERSANT FOR CEMENT, DISPERSANT FOR CEMENT, AND CEMENT COMPOSITION Technische Universität München (DE) 2013-10-03 WO disclosed
EP-2152771-A1 PRODUCTION METHOD OF UNSATURATED (POLY)ALKYLENE GLYCOL ETHER MONOMER AND PRODUCTION METHOD OF (POLY)ALKYLENE GLYCOL CHAIN-CONTAINING POLYMER Nippon Shokubai Co., Ltd. (JP) 2010-02-17 EP disclosed
EP-1497241-A4 CEMENT ADMIXTURE AND PRODUCTION METHOD THEREOF NIPPON CATALYTIC CHEM IND (JP) 2009-07-29 EP disclosed
WO-2008126909-A1 PRODUCTION METHOD OF UNSATURATED (POLY)ALKYLENE GLYCOL ETHER MONOMER AND PRODUCTION METHOD OF (POLY)ALKYLENE GLYCOL CHAIN-CONTAINING POLYMER NIPPON SHOKUBAI CO., LTD. (JP) 2008-10-23 WO disclosed
US-7393821-B2 Detergent builder and detergent composition NIPPON SHOKUBAI CO., LTD. (JP) 2008-07-01 US disclosed
EP-1866259-A1 CEMENT ADMIXTURE Nippon Shokubai Co.,Ltd. (JP) 2007-12-19 EP disclosed
EP-1725509-A1 DRYING SHRINKAGE-REDUCING AGENT NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 2006-11-29 EP disclosed
WO-2006107069-A1 CEMENT ADMIXTURE NIPPON SHOKUBAI CO., LTD. (JP) 2006-10-12 WO disclosed
WO-2006064940-A1 AMINO GROUP-CONTAINING WATER-SOLUBLE COPOLYMER NIPPON SHOKUBAI CO., LTD. (JP) 2006-06-22 WO disclosed
WO-2006033464-A1 DISPERSANT USING KRAFT LIGNIN AND NOVEL LIGNIN DERIVATIVE NIPPON SHOKUBAI CO., LTD. (JP) 2006-03-30 WO disclosed
WO-2005087685-A1 DRYING SHRINKAGE-REDUCING AGENT NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-22 WO disclosed
EP-1497241-A1 CEMENT ADMIXTURE AND PRODUCTION METHOD THEREOF Nippon Shokubai Co., Ltd. (JP) 2005-01-19 EP disclosed
WO-2003091180-A1 CEMENT ADMIXTURE AND PRODUCTION METHOD THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-06 WO disclosed