SCHEMBL4830433

SCHEMBL4830433

C1=C(OC2=CCCC2)CCC1.C=CC(=O)OCCO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
GSTP1 P09211 1/20 0.35

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
SCHEMBL9300390 0.92 TSHR (0.51) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27822941 0.87 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3671930 0.83 THRB (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylamide SCHEMBL20379538 0.80 ALDH1A1 (0.37) TSHRALDH1A1GSTP1
SCHEMBL5411393 0.78 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Cyclopropane SCHEMBL11750295 0.78 TSHR (0.86) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL660331 0.78 TSHR (0.86) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4824966 0.78 THRB (0.39) TSHRALDH1A1THRBGSTP1
Acrylic Acid Methyl Ester SCHEMBL28278802 0.78 GSTP1 (0.35) GSTP1
SCHEMBL1607070 0.77 GSTP1 (0.35) TSHRGSTP1

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-7335703-B2 Polyolefin graft copolymer prepared in the presence of coordination polymerization catalyst based on late transition metal complex and method for making the same KANEKA CORPORATION (JP) 2008-02-26 US disclosed
US-20040242790-A1 Polyolefin graft copolymer produced with coordination polymerization catalyst based on complex of transition metal appearing in later period and process for producing the same KANEKA CORPORATION (JP) 2004-12-02 US disclosed
EP-1440988-A1 POLYOLEFIN GRAFT COPOLYMER PREPARED IN THE PRESENCE OF COODINATION POLYMERIZATION CATALYST BASED ON LATE TRANSITION METAL COMPLEX AND METHOD FOR MAKING THE SAME KANEKA CORPORATION (JP) 2004-07-28 EP disclosed
US-20040063809-A1 Polymeric binders for inkjet inks FU ZHENWEN (US) 2004-04-01 US disclosed
EP-1371697-A2 Polymeric binders for inkjet inks ROHM AND HAAS COMPANY (US) 2003-12-17 EP disclosed