SCHEMBL9929763

SCHEMBL9929763

CCCCC(CC)CCC(CC(CC)CCCC)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 7/20 0.46
CA2 P00918 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FDPS P14324 13/20 0.41
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2469449 0.90 CYP3A4 (0.47) GGPS1CA2CYP3A4L3MBTL1ALDH1A1
SCHEMBL8548552 0.79 CYP3A4 (0.47) GGPS1CA2CYP3A4L3MBTL1ALDH1A1
SCHEMBL5548513 0.77 CYP3A4 (0.46) GGPS1CA2CYP3A4L3MBTL1ALDH1A1
SCHEMBL11320103 0.76 SMPD1 (0.45) GGPS1CA2CYP3A4L3MBTL1ALDH1A1
SCHEMBL7899243 0.76 FDPS (0.53) CA2CYP3A4L3MBTL1ALDH1A1FDPS
SCHEMBL4323349 0.75 FDPS (0.44) GGPS1CYP3A4L3MBTL1ALDH1A1FDPS
SCHEMBL4428516 0.75 GGPS1 (0.49) GGPS1CYP3A4L3MBTL1FDPS
SCHEMBL11422915 0.75 CYP3A4 (0.43) GGPS1CA2CYP3A4L3MBTL1ALDH1A1
SCHEMBL2776464 0.74 GGPS1 (0.47) GGPS1CYP3A4L3MBTL1FDPS
SCHEMBL3177920 0.73 CYP3A4 (0.42) GGPS1CA2CYP3A4L3MBTL1ALDH1A1

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-2655472-B1 IMPROVED COLOR IN TITANIUM CATALYZED POLYESTERS EASTMAN CHEM CO (US) 2017-03-15 EP disclosed
US-9156941-B2 Color in titanium catalyzed polyesters EASTMAN CHEMICAL COMPANY (US) 2015-10-13 US disclosed
EP-2655472-A1 IMPROVED COLOR IN TITANIUM CATALYZED POLYESTERS Eastman Chemical Company (US) 2013-10-30 EP disclosed
WO-2012087600-A1 IMPROVED COLOR IN TITANIUM CATALYZED POLYESTERS EASTMAN CHEMICAL COMPANY (US) 2012-06-28 WO disclosed
US-20120157619-A1 Color in Titanium Catalyzed Polyesters EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed