Neridronic Acid

Neridronic Acid

SCHEMBL328773

NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.[NaH]

nearest known ligand 0.96

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 17/20 0.96
PDE3A Q14432 2/20 0.79
LMNA P02545 2/20 0.64
ADRB3 P13945 1/20 0.64
PDE4D Q08499 1/20 0.64
GGPS1 O95749 6/20 0.61
SMPD1 P17405 2/20 0.44
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 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
Neridronic Acid SCHEMBL10776647 1.00 FDPS (0.96) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL328859 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL328791 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL12821674 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6668742 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL3287859 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
Neridronic Acid SCHEMBL87499 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6667604 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6665992 0.98 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL3411395 0.96 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D

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-8404144-B2 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-26 US disclosed
EP-2407142-A1 Use of polymerizable bisphosphonic acids for the treatment of tooth surfaces that are not pretreated with phosphoric acid 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
US-20090075239-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2009-03-19 US disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed