SCHEMBL5438432

SCHEMBL5438432

C=C(C)C(=O)OCCOC(=O)OCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL8985965 0.92 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8452792 0.91 TSHR (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5435399 0.91 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19999147 0.89 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10029735 0.86 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9435701 0.86 TSHR (0.48) THRBTSHRALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL7267519 0.85 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8510669 0.85 THRB (0.70) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8501236 0.85 THRB (0.70) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8448405 0.85 TSHR (0.62) THRBTSHRALDH1A1POLBAPEX1

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-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-5919753-A Cross-linking agent NYCOMED IMAGING AS (NO) 1999-07-06 US disclosed
US-5693321-A Polymers containing diester units NYCOMED IMAGING AS (NO) 1997-12-02 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-5534250-A METHYLENE DIESTER GROUPS, BIODEGRADABLE NYCOMED IMAGING AS (NO) 1996-07-09 US disclosed
US-5529766-A Contrast agents NYCOMED IMAGING AS (NO) 1996-06-25 US disclosed
EP-0547126-B1 BIODEGRADABLE POLYMERS CONTAINING DIESTER UNITS NYCOMED IMAGING AS (NO) 1996-02-28 EP 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-0547126-A1 POLYMERS CONTAINING DIESTER UNITS. NYCOMED IMAGING AS (NO) 1993-06-23 EP disclosed
WO-1992017436-A1 CROSS-LINKING AGENT HOLMES, MICHAEL, JOHN (GB) 1992-10-15 WO disclosed
WO-1992004392-A1 POLYMERS CONTAINING DIESTER UNITS HOLMES, MICHAEL, JOHN (GB) 1992-03-19 WO disclosed