SCHEMBL5548515

SCHEMBL5548515

CCCCC(CC)CC(CP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.47
CYP3A4 P08684 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
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
SCHEMBL2775263 0.89 FDPS (0.50) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL29493900 0.86 FDPS (0.50) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL665561 0.83 FDPS (0.56) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL865495 0.81 FDPS (0.54) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL20565552 0.81 FDPS (0.54) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL2701703 0.81 FDPS (0.54) FDPSCYP3A4L3MBTL1ALDH1A1CA2
Hydrochloric Acid SCHEMBL2149848 0.81 FDPS (0.54) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL21385015 0.81 FDPS (0.54) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL7866461 0.81 FDPS (0.54) FDPSCYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL5551648 0.79 FDPS (0.63) 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-1499412-A4 MULTICOLUMN SELECTIVITY INVERSION GENERATOR FOR PRODUCTION OF ULTRAPURE RADIONUCLIDES PG RES FOUNDATION (US) 2007-07-11 EP disclosed
EP-1499412-A1 MULTICOLUMN SELECTIVITY INVERSION GENERATOR FOR PRODUCTION OF ULTRAPURE RADIONUCLIDES PG Research Foundation (US) 2005-01-26 EP disclosed
CN-1127295-C Fungicidal compositions AGREVO UK LTD (GB) 2003-11-12 CN disclosed
WO-2003086569-A1 MULTICOLUMN SELECTIVITY INVERSION GENERATOR FOR PRODUCTION OF ULTRAPURE RADIONUCLIDES PG RESEARCH FOUNDATION (US) 2003-10-23 WO disclosed
CN-1223547-A Fungicidal compositions AGREVO UK LTD (GB) 1999-07-21 CN disclosed