SCHEMBL8902181

SCHEMBL8902181

C=CC(=O)OCC(O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.67
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 3/20 0.37
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1375020 0.88 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965695 0.87 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965923 0.86 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22203886 0.85 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965855 0.85 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27800525 0.85
SCHEMBL33585 0.85
SCHEMBL27821519 0.85
SCHEMBL3687266 0.84 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14005956 0.83 TSHR (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100387568-C Thermal rectification method and rectifying column BASF AG (DE) 2008-05-14 CN disclosed
CN-1774412-A Thermal rectification method and rectifying column BASF AG (DE) 2006-05-17 CN disclosed
US-5639546-A CURED LAYER OF A CROSSLINKED POLYMER MATRIX AND DISPERSED COLLOIDAL METAL OXIDE PARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-17 US disclosed
EP-0475592-A2 Coated article having improved adhesion to organic coatings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-18 EP disclosed