SCHEMBL2221643

SCHEMBL2221643

OCC(CO)(C(O)=Cc1ccccc1)C(O)=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C3 P42330 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ESR1 P03372 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FBP1 P09467 3/20 0.35
NR1I2 O75469 1/20 0.35
PRMT1 Q99873 1/20 0.34
LMNA P02545 1/20 0.34
KDM1A O60341 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL1238436 0.84 ALDH1A1 (0.40) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2222005 0.78 ALDH1A1 (0.50) ALDH1A1TSHRRECQLKMT2AFBP1
SCHEMBL2362850 0.77 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
1,3-Propanediol SCHEMBL2865031 0.77 FBP1 (0.36) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2863424 0.73 MEN1 (0.42) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL14765003 0.71 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL12593472 0.71 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL7031297 0.71 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL11199917 0.70 TSHR (0.49) ALDH1A1TSHRRECQLMEN1KMT2A
SCHEMBL216869 0.69 TSHR (0.43) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712787-B Based on acetal compound for polyolefinic nucleator 瑞来斯实业公司 2016-08-17 CN disclosed
US-8962721-B2 Nucleating agents for polyolefins based on acetal compounds RELIANCE INDUSTRIES LIMITED (IN) 2015-02-24 US disclosed
US-8785529-B2 Nucleating agents for polyolefins based on metal salts RELIANCE INDUSTRIES LIMITED (IN) 2014-07-22 US disclosed
EP-2523999-A2 NUCLEATING AGENTS FOR POLYOLEFINS BASED ON METAL SALTS Reliance Industries Limited (IN) 2012-11-21 EP disclosed
EP-2524000-A2 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS Reliance Industries Limited (IN) 2012-11-21 EP disclosed
US-20120289632-A1 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON METAL SALTS RELIANCE INDUSTRIES LIMITED (IN) 2012-11-15 US disclosed
CN-102712787-A Novel nucleating agents for polyolefins based on acetal compounds RELIANCE IND LTD 2012-10-03 CN disclosed
WO-2011086582-A2 NUCLEATING AGENTS FOR POLYOLEFINS BASED ON METAL SALTS RELIANCE INDUSTRIES LIMITED (IN) 2011-07-21 WO disclosed
WO-2011086583-A2 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS RELIANCE INDUSTRIES LIMITED (IN) 2011-07-21 WO disclosed