SCHEMBL328880

SCHEMBL328880

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.57
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
FFAR1 O14842 1/20 0.52
FOLH1 Q04609 2/20 0.50
GGPS1 O95749 1/20 0.50
GSTK1 Q9Y2Q3 2/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5011486 0.98 FDPS (0.56) FDPSLMNATSHRNFKB1PMP22
SCHEMBL21611867 0.91 FOLH1 (0.59) FDPSLMNATSHRNFKB1PMP22
SCHEMBL7032708 0.84 FOLH1 (0.44) FDPSLMNATSHRNFKB1PMP22
SCHEMBL10863085 0.83 FDPS (0.76) FDPS
SCHEMBL1850194 0.81 FOLH1 (0.60) FDPSLMNATSHRFOLH1
SCHEMBL20699855 0.81 FDPS (0.75) FDPS
SCHEMBL28401724 0.78 FDPS (0.57) FDPS
Phosphoric Acid SCHEMBL1712904 0.77 KDM4C (0.56) LMNATSHRNFKB1PMP22FFAR4
Phosphoric Acid SCHEMBL19086102 0.77 KDM4C (0.56) LMNATSHRNFKB1PMP22FFAR4
Phosphoric Acid SCHEMBL9078680 0.77 KDM4C (0.56) LMNATSHRNFKB1PMP22FFAR4

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 6 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
EP-1578377-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M Innovative Properties Company (US) 2005-09-28 EP disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed
WO-2004060327-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed