SCHEMBL9629113

SCHEMBL9629113

CCNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.42
LAP3 P28838 1/20 0.42
MMP8 P22894 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
ANPEP P15144 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
METAP1 P53582 1/20 0.36

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
(Propylamino)Methylenediphosphonic Acid SCHEMBL8817761 0.78 MMP2 (0.50) FDPSLAP3MMP1MMP2MMP3
SCHEMBL3428915 0.78
SCHEMBL7565350 0.76
SCHEMBL731378 0.75 MMP2 (0.39) LAP3MMP8MMP2MMP9ANPEP
SCHEMBL8007394 0.74 FDPS (0.36) FDPSLAP3MMP8MMP1MMP2
SCHEMBL1123703 0.74 FDPS (0.38) FDPSLAP3MMP8MMP1MMP2
(Butylamino)Methylenediphosphonic Acid SCHEMBL7786904 0.74 MMP2 (0.48) FDPSLAP3MMP1MMP2ANPEP
(Pentylamino)Methylenediphosphonic Acid SCHEMBL6532378 0.72 S1PR2 (0.53) FDPSLAP3MMP2ANPEP
Phosphoric Acid SCHEMBL28085767 0.72 MMP1 (0.37) FDPSLAP3MMP8MMP1MMP2
SCHEMBL3977101 0.71 S1PR2 (0.57) FDPSLAP3ANPEP

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 7 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-4610799-A Washing additive in paste form containing an activator for per compounds, and package therefor HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-09-09 US disclosed
US-4308147-A Composition and treating aqueous solutions with N-carboxy alkyl amino alkane polyphosphonic acids and their alkali metal salts BENCKISER-KNAPSACK GMBH (DE) 1981-12-29 US disclosed
US-4307038-A N-Carboxy alkyl amino alkane polyphosphonic acids BENCKISER-KNAPSACK GMBH (DE) 1981-12-22 US 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