SCHEMBL6840513

SCHEMBL6840513

C=CC(=O)OC(C)COC(=O)/C=C/C(=O)OCC(C)OC(=O)C=C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.62
HPGD P15428 2/20 0.37
ALDH1A1 P00352 5/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HCAR2 Q8TDS4 4/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
THRB P10828 1/20 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
SCHEMBL3925808 1.00 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3925810 0.93 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3925814 0.93 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11785031 0.92 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.92 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.92 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27993882 0.92 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27650752 0.91 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8565034 0.90 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL16859720 0.89 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A

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
US-6759485-B2 CROSSLINKED ACRYLATED UNSATURATED POLYESTER YIELDS DEGRADATION PRODUCTS NON-TOXIC, METABOLIZED AND EXCRETED BY THE HUMAN KIDNEY; MECHANICAL PROPERTIES, I.E. COMPRESSIVE STRENGTH AND MODULUS; LOW WATER ABSORPTION; GRAFTING IMPLANTS WILLIAM MARSH RICE UNIVERSITY 2004-07-06 US claimed
CN-118256177-A Composition for forming adhesive layer, laminate, method for producing adhesive layer, method for producing laminate, and method for treating laminate 日铁化学材料株式会社 2024-06-28 CN disclosed
CN-118255947-A (Meth) acrylic acid copolymer and method for producing same 日铁化学材料株式会社 2024-06-28 CN disclosed
EP-1210379-B1 BIODEGRADABLE POLY(PROPYLENE FUMARATE) NETWORKS CROSS LINKED WITH POLY(PROPYLENE FUMARATE)-DIACRYLATE MACROMERS UNIV WM MARSH RICE (US) 2007-03-21 EP disclosed