SCHEMBL3137100

SCHEMBL3137100

C=C(CC(=O)OCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
NAAA Q02083 2/20 0.58
FAAH O00519 2/20 0.57
RAD52 P43351 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
EPHX1 P07099 1/20 0.50
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
ACHE P22303 6/20 0.44

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
SCHEMBL3625279 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL3133091 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL6658433 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL3128485 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL15156604 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL6657188 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL892067 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL9799832 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL3138822 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1
SCHEMBL1561906 1.00 TSHR (0.62) TSHRNAAAFAAHRAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093943-A1 REACTIVE ESTERS AS PLASTICIZERS FOR ELASTOMERS HALLSTAR INNOVATIONS CORP. (US) 2010-04-15 US claimed
US-20100093943-A1 REACTIVE ESTERS AS PLASTICIZERS FOR ELASTOMERS HALLSTAR INNOVATIONS CORP. (US) 2010-04-15 US disclosed
US-7541129-B2 A binder, colorant and release agent comprising a mixture of trifatty acid esters of 1,2,3-hydroxyprop-1-ene and either trifatty acid esters of 2-hydroxyl- or 2-fatty ester of a triglyceride; offset resistance, adhesion; durability; stability; energy efficiency; continuous processing; copiers; printers KONICA MINOLTA BUSINESS MACHINES TECHNOLOGIES, INC. (JP) 2009-06-02 US disclosed