SCHEMBL4451314

SCHEMBL4451314

CC(C=O)CO.O=CCCCO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.39
AKR1B1 P15121 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL1521339 0.83
SCHEMBL92676 0.83
SCHEMBL8160409 0.83
Ethane SCHEMBL8181219 0.80
SCHEMBL58606 0.80
SCHEMBL28059543 0.80 HIF1A (0.60) HIF1ATSHRFAAHTRPV1ALDH1A1
Acetaldehyde SCHEMBL18398682 0.78
SCHEMBL16859762 0.77
Hydrochloric Acid SCHEMBL6601155 0.77
SCHEMBL2677189 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6087782-A None JP disclosed
EP-2681180-B1 SINGLE SOLVENT GAS EXPANDED HYDROFORMYLATION PROCESS UNIV KANSAS (US) 2017-08-23 EP disclosed
US-8822734-B2 Single solvent gas expanded hydroformylation process THE UNIVERSITY OF KANSAS (US) 2014-09-02 US disclosed
US-20140081050-A1 SINGLE SOLVENT GAS EXPANDED HYDROFORMYLATION PROCESS THE UNIVERSITY OF KANSAS (US) 2014-03-20 US disclosed
EP-2681180-A2 SINGLE SOLVENT GAS EXPANDED HYDROFORMYLATION PROCESS The University of Kansas (US) 2014-01-08 EP disclosed
EP-2131957-B1 HYDROFORMYLATION PROCESS LYONDELL CHEMICAL TECH LP (US) 2013-06-12 EP disclosed
WO-2012121838-A2 SINGLE SOLVENT GAS EXPANDED HYDROFORMYLATION PROCESS THE UNIVERSITY OF KANSAS (US) 2012-09-13 WO disclosed
EP-2131957-A1 HYDROFORMYLATION PROCESS Lyondell Chemical Technology, L.P. (US) 2009-12-16 EP disclosed
WO-2008121194-A1 HYDROFORMYLATION PROCESS LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2008-10-09 WO disclosed
US-7294602-B1 Hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2007-11-13 US disclosed
US-7279606-B1 Hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2007-10-09 US disclosed
JP-H0687782-A HYDROFORMYLATION PROCESS AND BIMETALLIC CATALYST THEREFOR ARCO CHEM TECHNOL LP 1994-03-29 JP disclosed
EP-0388868-B1 Process for the production of 1,4-butane diol and tetrahydrofuran BASF AG (DE) 1993-11-10 EP disclosed
EP-0388868-A2 Process for the production of 1,4-butane diol and tetrahydrofuran BASF Aktiengesellschaft (DE) 1990-09-26 EP disclosed