SCHEMBL328746

SCHEMBL328746

C=C(C)C(=O)OCCCCCCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
FDPS P14324 6/20 0.49
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL19405762 1.00 TSHR (0.57) TSHRFDPSPOLBAPEX1HTT
SCHEMBL19409701 1.00 TSHR (0.57) TSHRFDPSPOLBAPEX1HTT
SCHEMBL1262620 0.84 TSHR (0.54) TSHRFDPSPOLBAPEX1HTT
SCHEMBL1263022 0.84 TSHR (0.54) TSHRFDPSPOLBAPEX1HTT
SCHEMBL5053937 0.84 TSHR (0.53) TSHRFDPSPOLBAPEX1HTT
SCHEMBL19405753 0.82 TSHR (0.51) TSHRFDPSPOLBAPEX1HTT
SCHEMBL19405710 0.82 TSHR (0.51) TSHRFDPSPOLBAPEX1HTT
SCHEMBL15389725 0.81 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12504625 0.81 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2943884 0.81 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1

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