SCHEMBL7781617

SCHEMBL7781617

CC(=O)OC1C(O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.61
TYMP P19971 5/20 0.58
PYGM P11217 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ALB P02768 1/20 0.51
POLB P06746 1/20 0.51
ADRA1A P35348 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL8160426 0.89 LMNA (0.52) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL5983808 0.89 LMNA (0.52) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL10895353 0.88 LMNA (0.56) TK2TYMPPYGMLMNA
SCHEMBL9556674 0.88 TK2 (0.57) TK2TYMPALDH1A1LMNAALB
SCHEMBL24263988 0.87 TK2 (0.58) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL15691446 0.87 TK2 (0.58) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL19132641 0.87 TK2 (0.58) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL15691496 0.87 TK2 (0.58) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL30528760 0.87 TK2 (0.58) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL20636931 0.86 TK2 (0.56) TK2TYMPPYGMALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4816570-A Biologically reversible phosphate and phosphonate protective groups THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 1989-03-28 US claimed
EP-2262820-B1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS COMPOUNDS UNIV HAMBURG (DE) 2013-06-19 EP disclosed
EP-0707591-B1 METHYLPHOSPHONIC ACID ESTER, PROCESS FOR PREPARING THE SAME AND ITS USE AVENTIS PHARMA GMBH (DE) 2001-09-26 EP disclosed
EP-0707591-A1 METHYLPHOSPHONIC ACID ESTER, PROCESS FOR PREPARING THE SAME AND ITS USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995001363-A1 METHYLPHOSPHONIC ACID ESTER, PROCESS FOR PREPARING THE SAME AND ITS USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-12 WO disclosed