SCHEMBL6454939

SCHEMBL6454939

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.35
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31

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
SCHEMBL2905913 1.00 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19TP53
Propene SCHEMBL28435634 0.91 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2416426 0.79 KDM4E (0.33) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL346751 0.79 KDM4E (0.33) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL346752 0.79 KDM4E (0.33) TP53GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL9168486 0.77 KDM1A (0.32) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL5981771 0.77 TP53 (0.43) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL28808090 0.77 KDM1A (0.32) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL29485701 0.76 TP53 (0.32) TP53
SCHEMBL1694420 0.75 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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
US-6900280-B2 Acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-31 US claimed
CN-110100819-B Application of 2-methyl citric acid in inhibition of spore formation of bacillus and inhibitor for inhibition of spore formation of bacillus 湖北工程学院 2021-04-16 CN disclosed
CN-109136160-B 2-methyl citric acid high-yield genetic engineering bacterium and construction method thereof 湖北工程学院 2020-10-02 CN disclosed
CN-104769182-B Polyacrylamide-type paper surface strength agent, and method for producing paper 星光PMC株式会社 2017-05-03 CN disclosed
US-6900280-B2 Acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-31 US disclosed
US-6799636-B2 Methods and compositions for cementing in wellbores HALLIBURTON ENERGY SERVICES, INC. 2004-10-05 US disclosed
US-20040072978-A1 Compositions of acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. 2004-04-15 US disclosed
EP-1392736-A2 ACID MACROMONOMERS AND THEIR METHOD OF PREPARATION Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
WO-2002079271-A2 ACID MACROMONOMERS AND THEIR METHOD OF PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
WO-2001023471-A1 HEAT STABLE ARTICLE, LATEX COMPOSITION, AND METHOD OF MAKING THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO disclosed
EP-0398487-B1 Aqueous dispersions of inorganic particles ICI PLC (GB) 1994-03-23 EP disclosed
EP-0395243-B1 Inorganic particles ICI PLC (GB) 1994-01-19 EP disclosed
US-5084502-A Addition polymer blend with an acid group either mineral acid 1or carboxylic acid IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
US-5064718-A Precipitation in dipersant copolymer of acrylated polyether and acrylate monomer IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1991-11-12 US disclosed
EP-0398487-A1 Aqueous dispersions of inorganic particles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-22 EP disclosed
EP-0395243-A2 Inorganic particles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-31 EP disclosed
EP-0307564-A2 Methods that introduce variations in color density into dyed cellulosic fabrics ECOLAB INC. (US) 1989-03-22 EP disclosed