SCHEMBL5666397

SCHEMBL5666397

C=CC(=O)OCCCOCCCO

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.63
ALDH1A1 P00352 4/20 0.63
TP53 P04637 3/20 0.63
HIF1A Q16665 3/20 0.63
CYP3A4 P08684 2/20 0.63
HSD17B10 Q99714 1/20 0.63
HPGD P15428 1/20 0.57
THRB P10828 2/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
APP P05067 2/20 0.33
HCAR2 Q8TDS4 3/20 0.32

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
SCHEMBL12200486 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12200483 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12200482 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13105984 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11581243 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13105983 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15373475 0.96 TSHR (0.69) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12761981 0.94 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5933756 0.92 TSHR (0.69) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21624608 0.92 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105207-B2 UV curable oligomeric adhesive compositions suitable for use in flexible packaging applications ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2006-09-12 US disclosed
US-20040029991-A1 UV curable oligomeric adhesive compositions suitable for use in flexible packaging applications ARKEMA FRANCE (FR) 2004-02-12 US disclosed
US-4147764-A POLY(HYDROXYALKYL ACRYLATE), ACTIVATED CARBON, ANTIGEN NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1979-04-03 US disclosed
US-4081402-A DISPERSION OF MICROPOROUS PARTICULATE SORBENT IN HYDROPHILIC POLYMER NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1978-03-28 US disclosed
US-3935342-A POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-27 US disclosed