SCHEMBL6155557

SCHEMBL6155557

CC(CO[Ti+2]OCC(C)CC(C)(C)C)CC(C)(C)C.CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 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
SCHEMBL1361328 0.85 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6156183 0.75 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361296 0.75 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1362531 0.73 HDAC3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6155554 0.73
SCHEMBL1361270 0.72 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361325 0.72 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1359966 0.72 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL50797 0.72 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10904203 0.72 CA2 (0.33)

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
EP-1252214-B1 ORGANOMETALLIC COMPOSITIONS JOHNSON MATTHEY PLC (GB) 2005-11-09 EP disclosed
US-6762314-B2 FOR USE AS CURING AGENT IN COATINGS, COMPOSITE MATERIALS, ADHESIVES, FOAMS AND THERMOPLASTIC POLYURETHANES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2004-07-13 US disclosed
US-20030009043-A1 Organometallic compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2003-01-09 US disclosed
EP-1252214-A1 ORGANOMETALLIC COMPOSITIONS Imperial Chemical Industries PLC (GB) 2002-10-30 EP disclosed
WO-2001051536-A1 ORGANOMETALLIC COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2001-07-19 WO disclosed