SCHEMBL11045801

SCHEMBL11045801

Cc1ccc(CC(O)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.69
BTN3A1 O00481 1/20 0.50
PDE3A Q14432 1/20 0.50
GGPS1 O95749 3/20 0.47
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL271001 0.82 FDPS (1.00) FDPSBTN3A1PDE3AGGPS1LMNA
SCHEMBL30683242 0.82 FDPS (0.71) FDPSBTN3A1PDE3AGGPS1
SCHEMBL23197624 0.80 FDPS (0.69) FDPSBTN3A1PDE3AGGPS1
SCHEMBL10881272 0.80 FDPS (0.69) FDPSBTN3A1PDE3AGGPS1LMNA
SCHEMBL10882178 0.80 FDPS (0.69) FDPSBTN3A1PDE3AGGPS1PTPN5
SCHEMBL18107090 0.80 FDPS (0.96) FDPSBTN3A1PDE3AGGPS1LMNA
SCHEMBL11044425 0.79 FDPS (0.62) FDPSBTN3A1PDE3AGGPS1
SCHEMBL3846830 0.79 FDPS (1.00) FDPSBTN3A1PDE3AGGPS1
SCHEMBL12257793 0.78 FDPS (0.62) FDPSBTN3A1PDE3AGGPS1PTPN5
SCHEMBL2457891 0.76 FDPS (1.00) FDPSBTN3A1PDE3AGGPS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473560-A Diphosphonic acid derivatives and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-09-25 US claimed
EP-0085321-A2 Diphosphonic acid derivatives and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1983-08-10 EP claimed
US-4473560-A Diphosphonic acid derivatives and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
EP-0085321-A2 Diphosphonic acid derivatives and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1983-08-10 EP disclosed