SCHEMBL7200378

SCHEMBL7200378

CCCCCCCCOC(=O)C(C)OCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
DNM1 Q05193 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 5/20 0.44

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
SCHEMBL6369540 0.93 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL13715542 0.92 ALDH1A1 (0.52) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL445760 0.92 ALDH1A1 (0.52) NAAAEPHX1TSHRHCAR2NPSR1
SCHEMBL10868226 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL10867512 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL9687894 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL10867805 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL10865021 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL10866713 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2
SCHEMBL9688421 0.90 NAAA (0.47) NAAAEPHX1TSHRDNM1HCAR2

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
CN-1181039-C Improved method of preparing acrylic acid-2-ethyl caproite ���з��ɹ�˾ 2004-12-22 CN disclosed
US-6603036-B2 Esterification of acrylic acid with 2-ethylhexanol in the presence of at least one stabilizer, with sulfuric acid as catalyst ATOFINA (FR) 2003-08-05 US disclosed
US-20020193623-A1 Process for the manufacture of 2-ethylhexyl acrylate ATOFINA (FR) 2002-12-19 US disclosed
CN-1379015-A Improved method of preparing acrylic acid-2-ethyl caproite ATTHOFINAS (FR) 2002-11-13 CN disclosed