SCHEMBL15901344

SCHEMBL15901344

C=CC(=O)OCCCOc1nc(OCCCOC(=O)C=C)nc(OCCCOC(=O)C=C)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 1/20 0.53
THRB P10828 4/20 0.49
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SERPINE1 P05121 1/20 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
SCHEMBL2360614 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL322104 0.89 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL6910522 0.84 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL1264570 0.82 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL321925 0.82 TSHR (0.85) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL28470987 0.80 TSHR (0.81) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL3786507 0.79 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL17795953 0.78 THRB (0.50) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL244114 0.77 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL22356317 0.76 L3MBTL1 (0.48) TSHRALDH1A1CYP3A4HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2762225-B1 POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, INORGANIC/ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, AND INORGANIC/ORGANIC RESIN COMPOSITE MITSUBISHI CHEM CORP (JP) 2018-09-12 EP disclosed
US-9201168-B2 Polymerizable inorganic-particle dispersant, inorganic-organic composite particles containing said polymerizable inorganic-particle dispersant, and inorganic-organic resin composite material NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2015-12-01 US disclosed
EP-2762225-A1 POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, INORGANIC/ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, AND INORGANIC/ORGANIC RESIN COMPOSITE Nippon Kasei Chemical Company Limited (JP) 2014-08-06 EP disclosed
US-20140213725-A1 POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, INORGANIC-ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, AND INORGANIC-ORGANIC RESIN COMPOSITE MATERIAL NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-07-31 US disclosed