SCHEMBL5439764

SCHEMBL5439764

C=CCCC(=O)OCOC(=O)CCC=C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 6/20 0.41
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
FAAH O00519 4/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL11330333 0.87 ALDH1A1 (0.42) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL30499789 0.85
SCHEMBL905930 0.85 TSHR (0.57) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL2137245 0.85 ALDH1A1 (0.41) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL23748798 0.83
SCHEMBL356135 0.83
SCHEMBL1075549 0.81 TSHR (0.50) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL5446780 0.81 ALDH1A1 (0.68) ALDH1A1LMNATSHRMAPTABCC4
Hydrochloric Acid SCHEMBL30480704 0.81 CYP1A2 (0.47) ALDH1A1LMNATSHRCYP3A4GAA
SCHEMBL11357979 0.81 CYP1A2 (0.47) ALDH1A1LMNATSHRCYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070003485-A1 Contrast agents KLAVENESS JO 2007-01-04 US disclosed
US-20050232865-A1 Contrast agents GE HEALTHCARE AS (NO) 2005-10-20 US disclosed
US-20040131549-A1 Ultrasonic diagnosis; crosslinked protein forming gas containing vesicles; stability; high speed elimination NYCOMED IMAGING AS. 2004-07-08 US disclosed
EP-0576521-B2 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-02-04 EP disclosed
US-20030031629-A1 Contrast agents NYCOMED IMAGING AS 2003-02-13 US disclosed
US-6107422-A HAVING NOVEL MICROSTRUCTURE; ELASTOMERS, MOLDING MATERIALS, ADHESIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-22 US disclosed
US-5919753-A Cross-linking agent NYCOMED IMAGING AS (NO) 1999-07-06 US disclosed
EP-0807441-A2 Improvements in or relating to contrast agents NYCOMED IMAGING AS (NO) 1997-11-19 EP disclosed
EP-0576521-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1997-09-03 EP disclosed
US-5529766-A Contrast agents NYCOMED IMAGING AS (NO) 1996-06-25 US disclosed
EP-0577659-B1 CROSS-LINKING AGENT NYCOMED IMAGING AS (NO) 1996-01-17 EP disclosed
EP-0577659-A1 CROSS-LINKING AGENT. HOLMES MICHAEL JOHN (GB) 1994-01-12 EP disclosed
EP-0576521-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS. NYCOMED IMAGING AS (NO) 1994-01-05 EP disclosed
WO-1992017436-A1 CROSS-LINKING AGENT HOLMES, MICHAEL, JOHN (GB) 1992-10-15 WO disclosed
WO-1992017213-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1992-10-15 WO disclosed