SCHEMBL8812450

SCHEMBL8812450

Ic1cc(I)c(OCCC2CCCC2)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.44
MCHR1 Q99705 1/20 0.35
HPGD P15428 11/20 0.34
IDO1 P14902 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CXCR2 P25025 1/20 0.33
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL8811665 0.81 THRA (0.42)
SCHEMBL7045585 0.80 TPMT (0.41) NFE2L2HPGDCXCR2ALOX5PPARG
SCHEMBL8813773 0.76 TTR (0.39)
SCHEMBL8812255 0.72 HPGD (0.41) HPGD
SCHEMBL8813218 0.72 TTR (0.36)
SCHEMBL15162110 0.70 TTR (0.40)
SCHEMBL8813207 0.70 TTR (0.35)
SCHEMBL7163901 0.69 TTR (0.33)
SCHEMBL31616197 0.69 TTR (0.39) HPGD
SCHEMBL26834873 0.68 CHRM2 (0.37) NFE2L2HPGDSCN9A

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-5620677-A CONTRAST AGENTS IN DIAGNOSTIC RADIOLOGY STERLING WINTHROP INC. (US) 1997-04-15 US claimed
US-5607660-A X-RAY CONTRAST AGENTS FOR INTESTINES STERLING WINTHROP INC. (US) 1997-03-04 US claimed
US-5531979-A X-RAY CONTRAST COMPOSITION STERLING WINTHROP INC. (US) 1996-07-02 US claimed
EP-0609586-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP claimed
EP-0609587-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP claimed
US-5326553-A Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract STERLING WINTHROP INC. (US) 1994-07-05 US claimed
US-5316755-A AQUEOUS X-RAY CONTRAST COMPOSITION FOR ORAL OR RECTAL ADMINISTRATION STERLING WINTHROP INC. (US) 1994-05-31 US claimed
US-5620677-A CONTRAST AGENTS IN DIAGNOSTIC RADIOLOGY STERLING WINTHROP INC. (US) 1997-04-15 US disclosed
US-5607660-A X-RAY CONTRAST AGENTS FOR INTESTINES STERLING WINTHROP INC. (US) 1997-03-04 US disclosed
EP-0756497-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING PHARMACEUTICALLY ACCEPTABLE CLAYS NYCOMED IMAGING AS (NO) 1997-02-05 EP disclosed
EP-0746339-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES NYCOMED IMAGING AS (NO) 1996-12-11 EP disclosed
WO-1995028969-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING PHARMACEUTICALLY ACCEPTABLE CLAYS NYCOMED IMAGING AS (NO) 1995-11-02 WO disclosed
WO-1995022995-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES NYCOMED IMAGING A/S (NO) 1995-08-31 WO disclosed
EP-0609586-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP disclosed
EP-0609587-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP disclosed
US-5326553-A Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract STERLING WINTHROP INC. (US) 1994-07-05 US disclosed
US-5316755-A AQUEOUS X-RAY CONTRAST COMPOSITION FOR ORAL OR RECTAL ADMINISTRATION STERLING WINTHROP INC. (US) 1994-05-31 US disclosed