SCHEMBL9333367

SCHEMBL9333367

CN(C)CCCCCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 19/20 0.62
GGPS1 O95749 8/20 0.62
PDE3A Q14432 2/20 0.56
AGTR1 P30556 1/20 0.56
OPRM1 P35372 1/20 0.56
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL16091938 1.00 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL9333595 0.98 FDPS (0.61) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL3976360 0.92 FDPS (0.57) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL18330273 0.86 FDPS (0.47) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL138988 0.83 FDPS (0.58) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL9313278 0.82 FDPS (0.77) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL11952578 0.82 FDPS (0.47) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL16091907 0.82 FDPS (0.42) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL14029188 0.82 FDPS (0.55) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL232124 0.81 FDPS (0.56) FDPSGGPS1PDE3AAGTR1OPRM1

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-0592488-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUTO GENTILI S.P.A. (IT) 1994-04-20 EP claimed
WO-1993000348-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ISTITUTO GENTILI S.P.A. (IT) 1993-01-07 WO claimed
EP-0592488-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUTO GENTILI S.P.A. (IT) 1994-04-20 EP disclosed
WO-1993000348-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ISTITUTO GENTILI S.P.A. (IT) 1993-01-07 WO disclosed