SCHEMBL14764391

SCHEMBL14764391

CCCC(O)OC(=O)CCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 5/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
SLC1A1 P43005 1/20 0.36
MAPK1 P28482 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2706936 0.92 LMNA (0.42) TSHRLMNAMAPTALDH1A1MAPK1
SCHEMBL10430878 0.85 ALDH1A1 (0.48) TSHRLMNAMAPTALDH1A1MAPK1
SCHEMBL2141472 0.84 HDAC1 (0.41) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL2925049 0.83 TSHR (0.56) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL11652184 0.83 LMNA (0.53) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL5712400 0.83 LMNA (0.48) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL10417803 0.82 LMNA (0.52) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL7701703 0.80 TSHR (0.52) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL11837665 0.80 GPR84 (0.38) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL9849076 0.80 LMNA (0.60) KMT2AMEN1LMNAKDM4EMAPT

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-10322988-B2 Process for purifying a stream comprising 1,4-butanediol JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2019-06-18 US disclosed
EP-2753597-B1 PROCESS FOR PURIFYING A STREAM COMPRISING 1,4-BUTANEDIOL JOHNSON MATTHEY DAVY TECHNOLOGIES LTD (GB) 2018-10-17 EP disclosed
US-20140350308-A1 Process For Purifying a Stream Comprising 1,4-Butanediol JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2014-11-27 US disclosed
WO-2013034881-A1 PROCESS FOR PURIFYING A STREAM COMPRISING 1,4- BUTANEDIOL DAVY PROCESS TECHNOLOGY LIMITED (GB) 2013-03-14 WO disclosed