SCHEMBL7912783

SCHEMBL7912783

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCO.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 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
SCHEMBL26628042 0.93 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL11826225 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL7943226 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL29004140 0.90 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL31216393 0.90 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDPOLB
Acrylic Acid SCHEMBL11783796 0.89 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDPOLB
Methacrylic Acid SCHEMBL9709007 0.89 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDPOLB
Acrylic Acid Ethyl Ester SCHEMBL7580730 0.88 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDPOLB
Acrylic Acid Methyl Ester SCHEMBL28456671 0.87 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDPOLB
Acrylic Acid Methyl Ester SCHEMBL27827983 0.87 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197289-B1 Removal of biologically active agents TERUMO CARDIOVASCULAR SYSTEMS CORPORATION 2001-03-06 US disclosed
US-6146771-A Process for modifying surfaces using the reaction product of a water-insoluble polymer and a polyalkylene imine TERUMO CARDIOVASCULAR SYSTEMS CORPORATION (US) 2000-11-14 US disclosed
EP-1021216-A1 PROCESS FOR MODIFIYING SURFACES USING THE REACTION PRODUCT OF A WATER-INSOLUBLE POLYMER AND A POLYALKLENE IMINE Terumo Cardiovascular Systems Corporation (US) 2000-07-26 EP disclosed
EP-0994745-A1 REMOVAL OF BIOLOGICALLY ACTIVE AGENTS Terumo Cardiovascular Systems Corporation (US) 2000-04-26 EP disclosed
WO-1999001167-A1 PROCESS FOR MODIFIYING SURFACES USING THE REACTION PRODUCT OF A WATER-INSOLUBLE POLYMER AND A POLYALKLENE IMINE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-14 WO disclosed
WO-1999001195-A1 REMOVAL OF BIOLOGICALLY ACTIVE AGENTS TERUMO CARDIOVASCULAR SYSTEMS CORPORATION (US) 1999-01-14 WO disclosed