SCHEMBL8639740

SCHEMBL8639740

C=CC(=O)OC(CCC)C(CCC)(CCC)OC(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
THRB P10828 2/20 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
SCHEMBL16781739 0.86 TSHR (0.34) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL23494171 0.78 TSHR (0.41) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28697448 0.75 TSHR (0.39) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL4235846 0.73 TSHR (0.44) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28847101 0.72 TSHR (0.37) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28360932 0.72 TSHR (0.37) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL16291088 0.71 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL9545994 0.71 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL544590 0.71 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL23494133 0.71 TSHR (0.47) TSHRHPGDALDH1A1TP53CYP3A4

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
EP-0638096-B1 PRESSURE SENSITIVE ADHESIVE WITH FILLER MINNESOTA MINING & MFG (US) 1998-08-05 EP disclosed
US-5536778-A (METH)ACRYLATE POLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-16 US disclosed
EP-0638096-A1 PRESSURE SENSITIVE ADHESIVE WITH FILLER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed
WO-1993022354-A1 PRESSURE SENSITIVE ADHESIVE WITH FILLER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed