SCHEMBL9630342

SCHEMBL9630342

CCCCN(CCCC)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.75
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP8 P22894 1/20 0.52
GGPS1 O95749 3/20 0.44
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
S1PR2 O95136 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.42
LAP3 P28838 2/20 0.42
S1PR4 O95977 1/20 0.37

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
SCHEMBL11796709 0.91 FDPS (0.69) FDPSMMP1MMP2MMP3MMP8
SCHEMBL7614794 0.91 FDPS (0.69) FDPSMMP1MMP2MMP3MMP8
SCHEMBL7620944 0.91 FDPS (0.69) FDPSMMP1MMP2MMP3MMP8
(Dipropylamino)Methylenediphosphonic Acid SCHEMBL12250787 0.86 FDPS (1.00) FDPSMMP1MMP2MMP3MMP8
SCHEMBL7079157 0.79 FDPS (0.77) FDPSMMP1MMP2MMP3MMP8
SCHEMBL15187674 0.77 FDPS (0.56) FDPS
(Diethylamino)Methylenediphosphonic Acid SCHEMBL9630354 0.75 FDPS (1.00) FDPSMMP1MMP2MMP3MMP8
SCHEMBL11765105 0.74 GGPS1 (0.55) FDPSGGPS1LPAR3LPAR2S1PR2
SCHEMBL11080232 0.74 GGPS1 (0.55) FDPSGGPS1LPAR3LPAR2S1PR2
SCHEMBL1421092 0.74 GGPS1 (0.55) FDPSGGPS1LPAR3LPAR2S1PR2

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-0335296-B1 TC-99-M-W-ALKYLPHOSPHINIC-1-HYDROXYALKAN-1,1-DIPHOSPHONAT CONTAINING PREPARATIONS FOR BONES-SCINTIGRAPHY AND PREPARATION THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-15 EP disclosed
US-4910012-A Technetium complexed with diphosphonate salt HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0335296-A2 Tc-99-m-w-alkylphosphinic-1-hydroxyalkan-1,1-diphosphonat containing preparations for bones-scintigraphy and preparation thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-04 EP disclosed
US-3957160-A Process for the prevention of precipitations in water or aqueous solutions HENKEL & CIE G.M.B.H. (DT) 1976-05-18 US disclosed