SCHEMBL9929470

SCHEMBL9929470

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.42
CYP3A4 P08684 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA2 P00918 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 3/20 0.34
ATM Q13315 1/20 0.34
SMPD1 P17405 3/20 0.33
GGPS1 O95749 2/20 0.33

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
SCHEMBL2960170 0.78 FDPS (0.49) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL37425 0.78 FDPS (0.49) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL2469449 0.76 CYP3A4 (0.47) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL8548552 0.76 CYP3A4 (0.47) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL5548513 0.75 CYP3A4 (0.46) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL7899243 0.73 FDPS (0.53) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL11422915 0.72 CYP3A4 (0.43) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL3177920 0.71 CYP3A4 (0.42) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL9929763 0.71 GGPS1 (0.46) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL1086791 0.71 CYP3A4 (0.42) FDPSCYP3A4L3MBTL1ALDH1A1CA2

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
US-8796395-B2 Polyesters containing particular phosphorus compounds blended with other polymers EASTMAN CHEMICAL COMPANY (US) 2014-08-05 US disclosed
US-20120157604-A1 Polyesters Containing Particular Phosphorus Compounds Blended with Other Polymers EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
US-20120157619-A1 Color in Titanium Catalyzed Polyesters EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed