SCHEMBL29926202

SCHEMBL29926202

CCCC(O)C(=O)OCC.CCCC(OS(=O)(=O)C(F)(F)F)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 2/20 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
SCHEMBL9327185 0.93 HTT (0.36) MAPTHTTSMN1; SMN2HSD17B10POLB
SCHEMBL14003053 0.93 HTT (0.36) MAPTHTTSMN1; SMN2HSD17B10POLB
SCHEMBL9773244 0.81 MAPT (0.40) MAPT
SCHEMBL9773214 0.81 MAPT (0.40) MAPT
SCHEMBL9773246 0.81 MAPT (0.40) MAPT
SCHEMBL9702539 0.81 MAPT (0.40) MAPT
SCHEMBL29308571 0.80 CA1 (0.40) MAPTHTTSMN1; SMN2HSD17B10
SCHEMBL29308554 0.80 CA1 (0.40) MAPTHTTSMN1; SMN2HSD17B10
SCHEMBL10088095 0.80 CA1 (0.40) MAPTHTTSMN1; SMN2HSD17B10
SCHEMBL2326461 0.80 HSD17B10 (0.35) MAPTHTTSMN1; SMN2HSD17B10POLB

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