SCHEMBL6652057

SCHEMBL6652057

C=C(CCP(=O)(OCCCC)OCCCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
TSHR P16473 1/20 0.34

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
SCHEMBL743340 0.92 CYP3A4 (0.41) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL4267682 0.82 CYP3A4 (0.48) CYP3A4TSHR
SCHEMBL1139628 0.80 CYP3A4 (0.42) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL27975578 0.77 AKR1B1 (0.48) CYP3A4TSHR
SCHEMBL4583907 0.77 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11494792 0.76 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2239484 0.76 DGKA (0.48) CYP3A4LPAR3LPAR1
SCHEMBL10832782 0.75 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL15951687 0.75 DGKA (0.47) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL2350307 0.75 CYP3A4 (0.44) CYP3A4LPAR3LPAR1LPAR2

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-1427763-A1 METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2004-06-16 EP disclosed
WO-2003048176-A1 CATALYST FOR PRODUCING (CO)POLYMERS OF (METH)ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-06-12 WO disclosed
WO-2003029310-A1 METHOD AND DEVICE FOR PRODUCING A HIGHLY MOLECULAR POLY(METH)ACRYLATE RÖHM GBMH & CO.KG (DE) 2003-04-10 WO disclosed
WO-2003022897-A1 METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-03-20 WO disclosed