SCHEMBL7906178

SCHEMBL7906178

C=C(C)C(=O)OCC=CO.C=CCOC(=O)C(=C)C.C=CCOC(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 6/20 0.34
CYP3A4 P08684 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL7869281 0.95 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7787903 0.92 TSHR (0.41) TSHRHPGDMAPTCACNA1BAPBA1
Acrylic Acid SCHEMBL11775493 0.91 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL14740570 0.90 TSHR (0.42) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL650597 0.90 TSHR (0.42) TSHRHPGDMAPTCACNA1BAPBA1
Ethylene SCHEMBL2050495 0.89 TSHR (0.41) TSHRHPGDMAPTCACNA1BAPBA1
Butadiene SCHEMBL9720053 0.87 TSHR (0.40) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL2641211 0.87 TSHR (0.43) TSHRHPGDMAPTCACNA1BAPBA1
Methacrylic Acid SCHEMBL6275938 0.85 TSHR (0.39) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL37916 0.85 TSHR (0.47) TSHRALDH1A1THRB

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-1999001195-A1 REMOVAL OF BIOLOGICALLY ACTIVE AGENTS TERUMO CARDIOVASCULAR SYSTEMS CORPORATION (US) 1999-01-14 WO 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