SCHEMBL5030657

SCHEMBL5030657

C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=CC(=O)OCCC(C)OC(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.38
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27847758 0.94 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7866513 0.92 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24963 0.86 TSHR (0.52) TSHRALDH1A1THRBSMN1; SMN2POLB
SCHEMBL262349 0.86 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5667421 0.86 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4593744 0.85 THRB (0.52) TSHRALDH1A1THRBSMN1; SMN2POLB
SCHEMBL27829226 0.83 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Propane SCHEMBL8440363 0.83 THRB (0.50) TSHRALDH1A1THRBSMN1; SMN2POLB
SCHEMBL8528315 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15324203 0.82 TSHR (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907475-B1 COLD-SHRINK ARTICLE AND METHOD OF MAKING COLD-SHRINK ARTICLE 3M INNOVATIVE PROPERTIES CO (US) 2017-04-19 EP disclosed
EP-2155814-B1 COLD SHRINKABLE ARTICLE INCLUDING AN EPICHLOROHYDRIN COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2013-05-22 EP disclosed
US-8188178-B2 Mixture with reinforced carbon black, silica and peroxy curing agents; elongation; tear strength 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-29 US disclosed
US-20080281032-A1 COLD SHRINKABLE ARTICLE INCLUDING AN EPICHLOROHYDRIN COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2008-11-13 US disclosed
US-20080280080-A1 COLD SHRINKABLE ARTICLE INCLUDING AN EPICHLOROHYDRIN COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2008-11-13 US disclosed
US-20070027236-A1 Cold-shrink article and method of making cold-shrink article 3M INNOVATIVE PROPERTIES COMPANY 2007-02-01 US disclosed
US-20050215661-A1 NBC-resistant composition 3M INNOVATIVE PROPERTIES COMPANY 2005-09-29 US disclosed