SCHEMBL5135161

SCHEMBL5135161

CP(=O)(O)CCC(=O)O.Nc1nc(N)nc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
GABBR2 O75899 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM4 Q14833 1/20 0.37
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CTSC P53634 1/20 0.33
GGH Q92820 1/20 0.33
HSD17B10 Q99714 1/20 0.32
FOLH1 Q04609 2/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL63051 0.83
SCHEMBL16104630 0.83
SCHEMBL5554876 0.81 TSHR (0.42) CYP1A2GABBR2TSHRTHPOGABBR1
SCHEMBL28187226 0.81 TSHR (0.42) CYP1A2GABBR2TSHRTHPOGABBR1
Hydrochloric Acid SCHEMBL11709036 0.81 LMNA (0.46) CYP1A2GABBR2TSHRTHPOGABBR1
SCHEMBL28186481 0.81 TSHR (0.42) CYP1A2GABBR2TSHRTHPOGABBR1
Succinic Acid SCHEMBL11522905 0.76 CYP1A2 (0.61) CYP1A2GABBR2TSHRGABBR1LMNA
SCHEMBL28127619 0.74 CFTR (0.56) CYP1A2GGHGAA
Methyl Phosphonate SCHEMBL2533588 0.73 CA2 (0.50) CYP1A2GABBR2TSHRTHPOGABBR1
Adipic Acid SCHEMBL28157079 0.72 LMNA (0.58) CYP1A2GABBR2TSHRGABBR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907466-A1 POLYMER COMPOSITION COMPRISING A POLYMER RESIN AND A CARBOXYLATE PHOSPHINATE SALT COMPOUND Cheil Industries Inc. (KR) 2008-04-09 EP disclosed
WO-2007011099-A1 POLYMER COMPOSITION COMPRISING A POLYMER RESIN AND A CARBOXYLATE PHOSPHINATE SALT COMPOUND CHEIL INDUSTRIES INC. (KR) 2007-01-25 WO disclosed
US-20070021538-A1 Polymer composition comprising a polymer resin and a carboxylate phosphinate salt compound CHEIL INDUSTRIES, INC. (KR) 2007-01-25 US disclosed