SCHEMBL29925945

SCHEMBL29925945

CCOCCOCCOCCOc1ccc(C2OC2C(=O)OCC)cc1.CCOCCOCCOCCOc1ccc(CC(O)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ACACB O00763 1/20 0.41
FFAR1 O14842 2/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
LTA4H P09960 3/20 0.36
PPARD Q03181 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRA P10827 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL29925984 0.99 TSHR (0.50) TSHRACACBFFAR1PPARGPPARA
SCHEMBL27300575 0.88 TSHR (0.62) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27028952 0.88 TSHR (0.62) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27300493 0.88 TSHR (0.62) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27300562 0.88 TSHR (0.62) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27300495 0.88 TSHR (0.62) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27029071 0.88 TSHR (0.62) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27029032 0.87 TSHR (0.63) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27297438 0.87 TSHR (0.63) TSHRACACBFFAR1LTA4HMEN1
SCHEMBL27297435 0.87 TSHR (0.63) TSHRACACBFFAR1LTA4HMEN1

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