SCHEMBL7470091

SCHEMBL7470091

C=CC(=O)OCCCC.C=CC(=O)OCCCCC

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.92
HPGD P15428 1/20 0.92
ALDH1A1 P00352 4/20 0.72
CYP3A4 P08684 1/20 0.72
ATM Q13315 1/20 0.63
HCAR2 Q8TDS4 3/20 0.58
TP53 P04637 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 1/20 0.54
NAAA Q02083 1/20 0.50
THRB P10828 2/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL8846868 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10976683 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27529157 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9510077 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1448348 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Hexane SCHEMBL31405850 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Hexane SCHEMBL27325498 0.98 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL33111 0.98 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL16669730 0.96 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10868277 0.96 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023169566-A1 CATALYST FOR PHOTOCATALYTIC POLYMERIZATION REACTION, AND APPLICATION THEREOF 北京服装学院 2023-09-14 WO disclosed
EP-0996652-B1 TWO-PACKAGE WATERBORNE URETHANE COATINGS DU PONT (US) 2002-12-11 EP disclosed
US-6239214-B1 MACROMONOMER COMPRISING AT LEAST ABOUT 5 WEIGHT PERCENT OF AN UNSATURATED ACID-FUNCTIONAL MONOMER PREPARED USING A COBALT-BASED CATALYTIC CHAIN TRANSFER AGENT E. I. DU PONT DE NEMOURS AND COMPANY 2001-05-29 US disclosed
EP-0996652-A1 TWO-PACKAGE WATERBORNE URETHANE COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999003905-A1 GRAFT COPOLYMER EMULSIONS AND TWO-PACKAGE WATERBORNE URETHANE COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed
US-5017650-A Molding materials TORAY INDUSTRIES, INC. (JP) 1991-05-21 US disclosed
US-5006610-A Improved mechanical properties and solvent resistance TORAY INDUSTRIES, INC. (JP) 1991-04-09 US disclosed
EP-0276327-A1 RESIN COMPOSITION AND PROCESS FOR ITS PREPARATION TORAY INDUSTRIES, INC. (JP) 1988-08-03 EP disclosed