SCHEMBL4805599

SCHEMBL4805599

C=CC(=O)OOC(=O)C(C)=CCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 5/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL28183398 0.82 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22572647 0.80 TSHR (0.42) TSHRHPGDTHRB
SCHEMBL22572579 0.80 TSHR (0.42) TSHRHPGDTHRB
SCHEMBL6935317 0.79 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL21433560 0.79 TSHR (0.38) TSHRHPGD
SCHEMBL21633819 0.78
SCHEMBL27729290 0.78 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27778296 0.78 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27718503 0.78 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28177426 0.77 NPSR1 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368430-B1 DENTAL AND MEDICAL POLYMER COMPOSITES AND COMPOSITIONS STICK TECH OY (FI) 2008-09-10 EP disclosed
US-7354969-B2 Dental and medical polymer composites and compositions STICK TECH OY (FI) 2008-04-08 US disclosed
US-20040097627-A1 Dental and medical polymer composites and compositions STICK TECH OY (FI) 2004-05-20 US disclosed
EP-1368430-A1 DENTAL AND MEDICAL POLYMER COMPOSITES AND COMPOSITIONS Vallittu, Pekka (FI) 2003-12-10 EP disclosed
WO-2002062901-A1 DENTAL AND MEDICAL POLYMER COMPOSITES AND COMPOSITIONS VALLITTU PEKKA (FI) 2002-08-15 WO disclosed
US-5886064-A A CURABLE DENTAL COMPOSITION COMPRISING AN UNSATURATED MONOMER, A POLYMERIZATION INITITATOR, FILLER AND DENDRIMER HAVING UNSATURATED END GROUPS IVOCLAR AG (LI) 1999-03-23 US disclosed