SCHEMBL769713

SCHEMBL769713

C=CC(=O)OCCN(CCO)CCN(CCO)CCO

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4399489 0.98 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22465822 0.98 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10781384 0.92 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16294460 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7050406 0.90 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
Trolamine SCHEMBL28291044 0.87 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11737404 0.87 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10592028 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3203187 0.84 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL26944280 0.82 TSHR (0.69) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687689-A CROSSLINKING TOYO SEIKAN KAISHA, LTD. (JP) 1987-08-18 US claimed
US-20160213891-A1 Medical Dilation Element ZAMORE, ALAN 2016-07-28 US disclosed
US-9333278-B2 Medical dilation element Medtech Capital Ventures LLC (US) 2016-05-10 US disclosed
US-8652728-B2 Toner for electrostatic latent image development and production method thereof KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-02-18 US disclosed
US-20120094229-A1 TONER FOR ELECTROSTATIC LATENT IMAGE DEVELOPMENT AND PRODUCTION METHOD THEREOF KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-04-19 US disclosed
US-20120070599-A1 Reduced profile medical balloon element ZAMORE, ALAN 2012-03-22 US disclosed
US-20100249906-A1 REDUCED PROFILE MEDICAL BALLOON ELEMENT ZAMORE ALAN M 2010-09-30 US disclosed
US-20100211024-A1 Irradiation Conversion of Thermoplastic to Thermoset Polymers ZAMORE ALAN M 2010-08-19 US disclosed
US-7749585-B2 Reduced profile medical balloon element ZAMORE, ALAN 2010-07-06 US disclosed
US-7728049-B2 Irradiation conversion of thermoplastic to thermoset polymers ZAMORE, ALAN 2010-06-01 US disclosed
US-20040093008-A1 Reduced profile medical balloon element ZAMORE, ALAN 2004-05-13 US disclosed
US-20040002729-A1 Irradiation conversion of thermoplastic to thermoset polymers ZAMORE, ALAN 2004-01-01 US disclosed
US-4751120-A CROSSLINKED POLYESTER COATING TOYO SEIKAN KAISHA, LTD. (JP) 1988-06-14 US disclosed
US-4687689-A CROSSLINKING TOYO SEIKAN KAISHA, LTD. (JP) 1987-08-18 US disclosed