SCHEMBL2470732

SCHEMBL2470732

C=C(CC(=O)COC(C)=O)C(=O)OCCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 5/20 0.38
THRB P10828 1/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL2467078 0.86 ALDH1A1 (0.46) TSHRALDH1A1THRBFAAHLMNA
SCHEMBL6659743 0.85 TSHR (0.44) TSHRALDH1A1THRBFAAHLMNA
SCHEMBL11451557 0.78 FAAH (0.44) TSHRALDH1A1FAAHLMNAHSD17B10
SCHEMBL481223 0.76 TSHR (0.41) TSHRALDH1A1THRBLMNAHSD17B10
SCHEMBL481222 0.76 TSHR (0.41) TSHRALDH1A1THRBFAAHLMNA
SCHEMBL2469328 0.75 TSHR (0.42) TSHRALDH1A1THRBFAAHLMNA
SCHEMBL6662263 0.75 ALDH1A1 (0.61) TSHRALDH1A1THRBFAAHLMNA
SCHEMBL3886490 0.74 TSHR (0.40) TSHRALDH1A1THRBLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28218671 0.74 TSHR (0.40) TSHRALDH1A1THRBLMNAHSD17B10
SCHEMBL1521007 0.74 THRB (0.44) TSHRALDH1A1THRBLMNASMN1; SMN2

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-8716368-B2 Unsaturated polyester resin or vinyl ester resin composition DSM IP ASSETS B.V. (NL) 2014-05-06 US disclosed
EP-1888680-B1 UNSATURATED POLYESTER RESIN OR VINYL ESTER RESIN COMPOSITION DSM IP ASSETS BV (NL) 2011-10-05 EP disclosed
US-20090156750-A1 Unsaturated polyester resin or vinyl ester resin composition DSM IP ASSETS B.V. (NL) 2009-06-18 US disclosed
EP-1888680-A1 UNSATURATED POLYESTER RESIN OR VINYL ESTER RESIN COMPOSITION DSMIP Assets B.V. (NL) 2008-02-20 EP disclosed
WO-2006131295-A1 UNSATURATED POLYESTER RESIN OR VINYL ESTER RESIN COMPOSITION DSM IP ASSETS B.V. (NL) 2006-12-14 WO disclosed