SCHEMBL7899243

SCHEMBL7899243

CCCCC(CC)CC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.53
SMPD1 P17405 2/20 0.50
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 2/20 0.41
LAP3 P28838 2/20 0.39
TSHR P16473 2/20 0.38
ATM Q13315 1/20 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
SCHEMBL2469449 0.81 CYP3A4 (0.47) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL8548552 0.81 CYP3A4 (0.47) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL5548513 0.80 CYP3A4 (0.46) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL11422915 0.77 CYP3A4 (0.43) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL2866922 0.77 ALDH1A1 (0.56) FDPSALDH1A1TDP1CYP3A4L3MBTL1
Phosphoric Acid SCHEMBL1882365 0.77 ALDH1A1 (0.75) FDPSALDH1A1TDP1CYP3A4L3MBTL1
Phosphoric Acid SCHEMBL1882364 0.77 ALDH1A1 (0.75) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL9929763 0.76 GGPS1 (0.46) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL3177920 0.76 CYP3A4 (0.42) FDPSALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL37425 0.76 FDPS (0.49) FDPSALDH1A1TDP1CYP3A4L3MBTL1

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-6267936-B1 SOLVENT EXTRACTING METAL ION SELECTED FROM MAGNESIUM, VANADIUM, CHROMIUM, MOLYBDENUM, MANGANESE, COBALT, NICKEL, ZINC, CADMIUM, ALUMINUM, TIN, AND ARSENIC FROM AQUEOUS SOLUTION INCLUDING OTHER METAL ION WITH METAL COMPLEXING BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
EP-0931168-A1 USE OF HYDROCARBON-SOLUBLE AMINOMETHYLENEPHOSPHONIC ACID DERIVATIVES FOR THE SOLVENT EXTRACTION OF METAL IONS FROM AQUEOUS SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998014621-A1 USE OF HYDROCARBON-SOLUBLE AMINOMETHYLENEPHOSPHONIC ACID DERIVATIVES FOR THE SOLVENT EXTRACTION OF METAL IONS FROM AQUEOUS SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 WO disclosed