SCHEMBL7934758

SCHEMBL7934758

CC(C)(CO)CO.CC(C)C(=O)O.CC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.33
GABRR1 P24046 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OR51E2 Q9H255 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1636728 1.00 TP53 (0.38) TP53ALDH1A1GABRR1RNPEPTDP1
Acetic Acid SCHEMBL11758837 0.95 ALDH1A1 (0.36) TP53ALDH1A1GABRR1RNPEPTDP1
Butyric Acid SCHEMBL4452701 0.85 FFAR3 (0.52) ALDH1A1TDP1OR51E2CYP1A2
SCHEMBL16033727 0.84 PIK3CD (0.31) TP53ALDH1A1TDP1
Bicarbonate SCHEMBL5187608 0.82 TSHR (0.39) TP53ALDH1A1TDP1OR51E2CYP1A2
SCHEMBL28703813 0.81 ALDH1A1 (0.37) ALDH1A1RNPEPTDP1OR51E2MAPT
SCHEMBL28610519 0.80 GABRR1 (0.40) TP53ALDH1A1GABRR1RNPEPTDP1
SCHEMBL11365409 0.80 GABRR1 (0.40) TP53ALDH1A1GABRR1RNPEPTDP1
SCHEMBL11363406 0.80 GABRR1 (0.40) TP53ALDH1A1GABRR1RNPEPTDP1
Acetic Acid SCHEMBL28895099 0.79 FFAR3 (0.47) ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133812-A Scraping liquid granite coating prepared based on secondary crosslinking technology 福建省三棵树新材料有限公司 2022-03-04 CN claimed
CN-104177007-B A kind of slow setting self-closing polymer cement waterproof paint SHANGHAI INSTITUTE OF TECHNOLOGY (CN) 2016-01-20 CN claimed
CN-103201309-B Polyketal adducts, methods of preparation, and uses thereof SEGETIS INC 2015-04-29 CN claimed
CN-104194463-A Self-closing type polymer cement waterproof coating DAYAN SHANGHAI BUILDING MATERIALS COMPANY LTD 2014-12-10 CN claimed
CN-104177007-A Retarding self-closing polymer cement waterproof coating SHANGHAI INST TECHNOLOGY 2014-12-03 CN claimed
CN-103703098-A Hybrid sealant composition ILLINOIS TOOL WORKS 2014-04-02 CN claimed
CN-103201309-A Polyketal adducts, methods of preparation, and uses thereof SEGETIS INC 2013-07-10 CN claimed
CN-103087658-A Waterborne copolymer emulsion for canvas coatings and preparation method thereof FUZHOU FUWEI ADHESIVE CO LTD 2013-05-08 CN claimed
CN-102320787-B Self-closing polymer cement waterproof coating and preparation method thereof DAYAN SHANGHAI BUILDING MATERIAL CO LTD 2013-01-23 CN claimed
CN-102775103-A Sodium silicate-containing polymer cement waterproof coating and preparation method thereof SHANGHAI INST TECHNOLOGY 2012-11-14 CN claimed
CN-102459219-A Ketal compounds and uses thereof SEGETIS INC 2012-05-16 CN claimed
CN-102320787-A Self-closing polymer cement waterproof coating and preparation method thereof DAYAN SHANGHAI BUILDING MATERIAL CO LTD 2012-01-18 CN claimed
CN-114133812-A Scraping liquid granite coating prepared based on secondary crosslinking technology 福建省三棵树新材料有限公司 2022-03-04 CN disclosed
CN-104177007-B A kind of slow setting self-closing polymer cement waterproof paint SHANGHAI INSTITUTE OF TECHNOLOGY (CN) 2016-01-20 CN disclosed
CN-105102510-A Novel plasticizer blends and plastisol compositions comprising the same EMERALD KALAMA CHEMICAL LLC 2015-11-25 CN disclosed
CN-105086565-A Process for the coating of metallic components with an aqueous organic composition CHEMETALL GMBH 2015-11-25 CN disclosed
CN-102320787-A Self-closing polymer cement waterproof coating and preparation method thereof DAYAN SHANGHAI BUILDING MATERIAL CO LTD 2012-01-18 CN disclosed
CN-101198662-A Method for coating metal parts with aqueous organic compositions CHEMETALL GMBH (DE) 2008-06-11 CN disclosed
US-6242388-B1 OIL AND GAS WELLS WITH COUPLING SOLVENTS AND SURFACTANTS EASTMAN CHEMICAL COMPANY 2001-06-05 US disclosed
CN-1217355-A Thermosetting resin composition containing polyvinyl chloride and phthalic acid ester CJ CORP (HK) 1999-05-26 CN disclosed