SCHEMBL29926358

SCHEMBL29926358

CCOCCOCCOCCOc1ccc(C[C@@H](O)C(=O)OC(C)(C)C)cc1.CCOCCOCCOCCOc1ccc([C@@H]2O[C@H]2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 6/20 0.33
PPARD Q03181 3/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR1 O14842 2/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
HTT P42858 1/20 0.33
THRA P10827 1/20 0.33
SLC5A2 P31639 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
SCHEMBL29926060 1.00 ACACB (0.39) ACACBTSHREPHX2ITGB3ITGA2B
SCHEMBL29926003 0.88 TSHR (0.45) ACACBTSHREPHX2BCHECNR2
SCHEMBL29926150 0.88 TSHR (0.45) ACACBTSHREPHX2BCHECNR2
SCHEMBL29926072 0.88 TSHR (0.45) ACACBTSHREPHX2BCHECNR2
SCHEMBL27029082 0.88 TSHR (0.45) ACACBTSHREPHX2BCHECNR2
SCHEMBL29925945 0.87 TSHR (0.49) ACACBTSHREPHX2PPARGPPARA
SCHEMBL29097077 0.86 ACACB (0.49) ACACBEPHX2ITGB3ITGA2BPPARG
SCHEMBL29097076 0.86 ACACB (0.49) ACACBEPHX2ITGB3ITGA2BPPARG
SCHEMBL29097079 0.86 ACACB (0.49) ACACBEPHX2ITGB3ITGA2BPPARG
SCHEMBL27300479 0.86 ACACB (0.49) ACACBEPHX2ITGB3ITGA2BPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 EP disclosed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 WO disclosed