SCHEMBL5385552

SCHEMBL5385552

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 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
SCHEMBL7778077 0.85 CASP1 (0.35) CASP1ALDH1A1TSHRTHRB
SCHEMBL5078362 0.83 CASP1 (0.44) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL28708751 0.83 TSHR (0.40) CASP1ALDH1A1TSHRLMNAGAA
SCHEMBL5923360 0.83 CASP1 (0.34) CASP1ALDH1A1TSHR
SCHEMBL5518990 0.82 TSHR (0.42) CASP1TSHRMAPTHSD17B10
SCHEMBL16152828 0.82 CASP1 (0.43) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL16152888 0.80 CASP1 (0.42) CASP1ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL23581066 0.80 ALDH1A1 (0.42) CASP1ALDH1A1TSHREGLN1
SCHEMBL9462351 0.80 CASP1 (0.47) CASP1ALDH1A1TSHRMAPTNPSR1
SCHEMBL28725075 0.80 TSHR (0.35) CASP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694302-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS COMPRISING BITTER DRUG AND pH SENSITIVE POLYMER Council of Scientific and Industrial Research (IN) 2006-08-30 EP claimed
EP-1694303-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION COMPRISING PH SENSITIVE POLYMER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-08-30 EP claimed
WO-2005055987-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS COMPRISING BITTER DRUG AND pH SENSITIVE POLYMER COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-06-23 WO claimed
WO-2005055986-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION COMPRISING PH SENSITIVE POLYMER COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-06-23 WO claimed
US-20050136115-A1 Taste masked pharmaceutical composition comprising pH sensitive polymer COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-23 US claimed
US-20050136114-A1 Taste masked pharmaceutical compositions comprising bitter drug and pH sensitive polymer COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-23 US claimed
US-4945146-A Dispersion polymers processes for their preparation and their use BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1990-07-31 US claimed
US-20170345669-A1 HARD-MASK COMPOSITION NANO-C, INC. 2017-11-30 US disclosed
WO-2016179558-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-10 WO disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9296704-B2 Substituted pyrimidines as protein kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
WO-2015196144-A2 ANDROGEN RECEPTOR ANTAGONISTS ENGLAND PAMELA M (US) 2015-12-23 WO disclosed
US-7282218-B2 Pharmaceutical composition; hydrophobic monomer, a basic monomer, a hydrophilic monomer and an amorphous form of a bitter drug within the polymer matrix; inhibits the crystallization of the drug during formulation and reconstitution COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-10-16 US disclosed
EP-1694302-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS COMPRISING BITTER DRUG AND pH SENSITIVE POLYMER Council of Scientific and Industrial Research (IN) 2006-08-30 EP disclosed
EP-1694303-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION COMPRISING PH SENSITIVE POLYMER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-08-30 EP disclosed
WO-2005055986-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION COMPRISING PH SENSITIVE POLYMER COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-06-23 WO disclosed
WO-2005055987-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS COMPRISING BITTER DRUG AND pH SENSITIVE POLYMER COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-06-23 WO disclosed
US-20050136115-A1 Taste masked pharmaceutical composition comprising pH sensitive polymer COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-23 US disclosed
US-20050136114-A1 Taste masked pharmaceutical compositions comprising bitter drug and pH sensitive polymer COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-23 US disclosed