SCHEMBL2352320

SCHEMBL2352320

CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ti+4].[Ti+4]

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
FABP3 P05413 9/20 0.44
FFAR3 O14843 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
BBOX1 O75936 2/20 0.38

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
SCHEMBL15805 1.00 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL1121644 0.98 CA1 (0.46) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL887075 0.98 CA1 (0.46) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL3930736 0.98 CA1 (0.46) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL23174700 0.95 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL640842 0.95 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
Zinc Ion SCHEMBL63027 0.95 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL21638779 0.95 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
Silver SCHEMBL21899896 0.95 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL10825634 0.95 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008237-B2 Method for making a titanium-containing lubricant additive AFTON CHEMICAL CORPORATION (US) 2011-08-30 US disclosed
US-20090318318-A1 METHOD FOR MAKING A TITANIUM-CONTAINING LUBRICANT ADDITIVE AFTON CHEMICAL CORPORATION (US) 2009-12-24 US disclosed
EP-2135925-A1 Method for making a titanium-containing lubricant additive Afton Chemical Corporation (US) 2009-12-23 EP disclosed