SCHEMBL3457804

SCHEMBL3457804

C=C(C)C(=O)OCCNOC(=O)CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL62134 0.80 THRB (0.57) THRBTSHRALDH1A1MGAMGAA
SCHEMBL15263096 0.80 THRB (0.57) THRBTSHRALDH1A1MGAMGAA
SCHEMBL27924165 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL5969505 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
Bromide SCHEMBL31560051 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL1024184 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL15998378 0.78 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11658746 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL31310662 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL15551481 0.78 THRB (0.55) THRBTSHRALDH1A1MGAMGAA

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-7820754-B2 Aqueous polymer dispersion for barrier coating CRAY VALLEY S.A. (FR) 2010-10-26 US disclosed
US-20050256257-A1 Aqueous polymer dispersion for barrier coating ARKEMA FRANCE (FR) 2005-11-17 US disclosed
US-6312885-B1 WITH IMAGE FORMING LAYERS OF DIFFERENT THERMAL EXPANSION COEFFICIENTS FUJI PHOTO FILM CO., LTD. (JP) 2001-11-06 US disclosed