SCHEMBL10622017

SCHEMBL10622017

O=P(O)(O)C(O)(CCCCc1ncc[nH]1)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.65
TBXAS1 P24557 2/20 0.51
GGPS1 O95749 6/20 0.42
TERT O14746 1/20 0.41
PDE3A Q14432 1/20 0.40

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
SCHEMBL10621413 0.89 FDPS (0.71) FDPSTBXAS1TERTPDE3A
SCHEMBL1472092 0.79 FDPS (1.00) FDPSTBXAS1PDE3A
SCHEMBL9460227 0.77 FDPS (0.61) FDPSTBXAS1GGPS1TERT
SCHEMBL3431746 0.76 TBXAS1 (0.66) FDPSTBXAS1TERT
Phosphoric Acid SCHEMBL5074163 0.75 TBXAS1 (0.58) FDPSTBXAS1TERT
Phosphoric Acid SCHEMBL11769678 0.75 TBXAS1 (0.58) FDPSTBXAS1TERT
SCHEMBL28062565 0.74 TBXAS1 (0.69) FDPSTBXAS1TERT
SCHEMBL503743 0.74 TBXAS1 (0.69) FDPSTBXAS1TERT
SCHEMBL9460152 0.73 FDPS (0.65) FDPSTBXAS1GGPS1
SCHEMBL5897424 0.72 TBXAS1 (0.54) FDPSTBXAS1TERT

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
EP-0170228-B1 DIPHOSPHONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1988-12-28 EP disclosed
US-4784993-A Triazole containing diphosphonate compounds and the use thereof BOEHRINGER MANNHEIM GMBH (DE) 1988-11-15 US disclosed
US-4687767-A Certain 1-hydroxyethane, 1,1-di-phosphonic acid derivatives useful in treating calcium metabolism disturbances BOEHRINGER MANNHEIM GMBH (DE) 1987-08-18 US disclosed
EP-0170228-A1 Diphosphonic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1986-02-05 EP disclosed