SCHEMBL8713308

SCHEMBL8713308

O=P(O)(O)C(CC(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.48
KDM4E B2RXH2 1/20 0.41
MMP2 P08253 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANPEP P15144 4/20 0.38
LAP3 P28838 3/20 0.38
ERAP1 Q9NZ08 1/20 0.38
TYMS P04818 1/20 0.37
ERAP2 Q6P179 1/20 0.36
GGPS1 O95749 2/20 0.34

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
SCHEMBL8709594 1.00 FDPS (0.48) FDPSKDM4EMMP2THRBMAPK1
Water SCHEMBL8015709 0.97 FDPS (0.46) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL250204 0.96 FDPS (0.50) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL29449121 0.93 FDPS (0.48) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL20699852 0.80 FDPS (0.43) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL8709597 0.80 FDPS (0.39) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL12570892 0.78 ANPEP (0.56) FDPSANPEPLAP3ERAP1GGPS1
Water SCHEMBL8015711 0.78 FDPS (0.37) FDPSGGPS1
SCHEMBL10619694 0.76 FDPS (0.46) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL1877265 0.76 FDPS (0.46) FDPSKDM4EMMP2THRBMAPK1

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-5723102-A Process for the preparation of an organ-specific substance labeled with technetium-99m CIS BIO INTERNATIONAL (FR) 1998-03-03 US disclosed
US-5164175-A Cancer detection HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
US-5116596-A Complexed reducing agent HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed