SCHEMBL5083178

SCHEMBL5083178

C/C=C/CC(=O)OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
HTT P42858 3/20 0.47
CYP2C19 P33261 1/20 0.46
EPHX1 P07099 2/20 0.44
CYP19A1 P11511 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4202317 1.00 NAAA (0.53) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6711347 0.88 CYP2C19 (0.52) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6650101 0.88 CYP2C19 (0.52) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL25401219 0.85 NAAA (0.51) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL27190022 0.84 CYP2C19 (0.45) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL19134623 0.84 NAAA (0.51) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL3189605 0.83 NAAA (0.36) NAAAHTTEPHX1CYP19A1SMN1; SMN2
SCHEMBL25404785 0.82 NAAA (0.50) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL11818704 0.79 CYP2C19 (0.44) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL11818717 0.79 CYP2C19 (0.44) NAAAHTTCYP2C19EPHX1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4537987-A Preparation of pure monoesters of adipic acid BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US claimed
EP-1534657-B1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECH SARL (CH) 2008-10-08 EP disclosed
EP-1534657-A4 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECH SARL (US) 2006-08-02 EP disclosed
EP-1534657-A1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA Technologies S.à.r.l. (US) 2005-06-01 EP disclosed
WO-2004020381-A1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECHNOLOGIES S.À.R.L. (US) 2004-03-11 WO disclosed
US-6664427-B1 From an unsaturated compound by hydroformylation and in the presence of a catalyst system comprising a Group VIII metal and a bidentate phosphorus ligand having two trivalent phosphorus atoms bound to salicylanilide groups E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-16 US disclosed
EP-1000006-B1 IMPROVED PROCESS OF PREPARATION OF LINEAR ALDEHYDES DU PONT (US) 2003-01-22 EP disclosed
EP-0937022-B1 PROCESS TO PREPARE A LINEAR ALDEHYDE DU PONT (US) 2001-07-25 EP disclosed
US-6175043-B1 SEPARATING THE HYDROFORMYLATION REACTION PRODUCTS IN THE POLAR PHASE SOLVENT FROM THE CATALYST IN THE NON-POLAR PHASE SOLVENT, BY USING AN ORGANIC PHOSPHITE LIGAND WITH ATTACHED C9 TO C40 ALIPHATIC GROUP RENDERING THE LIGAND LIPOPHILIC E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-16 US disclosed
EP-1000006-A1 IMPROVED PROCESS OF PREPARATION OF LINEAR ALDEHYDES E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2000-05-17 EP disclosed
CN-1236353-A Process for preparing a linear aldehyde DU PONT (US) 1999-11-24 CN disclosed
EP-0937022-A1 PROCESS TO PREPARE A LINEAR ALDEHYDE E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1999-08-25 EP disclosed
WO-1999006345-A1 IMPROVED PROCESS OF PREPARATION OF LINEAR ALDEHYDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-11 WO disclosed
WO-1998019985-A1 PROCESS TO PREPARE A LINEAR ALDEHYDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-14 WO disclosed
US-5710344-A BIDENTATE LIGAND CONTAINING TWO PHOSPHORUS ATOMS AS HYDROFORMYLATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-01-20 US disclosed
US-4791219-A Preparation of etherified 3-hydroxyvalerates BASF AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
US-4537987-A Preparation of pure monoesters of adipic acid BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed