SCHEMBL30117656

SCHEMBL30117656

O=CC(=O)/C=C/[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46

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
SCHEMBL882803 1.00 AKR1B1 (0.46) AKR1B1
SCHEMBL15117041 1.00 AKR1B1 (0.46) AKR1B1
SCHEMBL18153853 0.75
SCHEMBL23927632 0.75
SCHEMBL4559187 0.75
SCHEMBL619201 0.73
Ethylene Glycol SCHEMBL1631800 0.71 AKR1B1 (0.40) AKR1B1
Ethylene Glycol SCHEMBL1630734 0.71 AKR1B1 (0.40) AKR1B1
Ethylene Glycol SCHEMBL1631025 0.71 AKR1B1 (0.40) AKR1B1
SCHEMBL763251 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115655842-B Rapid detection of alpha-dicarbonyl compounds in honey based on direct mass spectrometry technology 北京工商大学 2025-03-04 CN disclosed
CN-115655842-A Rapid detection of alpha-dicarbonyl compounds in honey based on direct mass spectrometry technology 北京工商大学 2023-01-31 CN disclosed