SCHEMBL28332005

SCHEMBL28332005

CCS(=O)(=O)OC(=O)OS(=O)(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SOAT1 P35610 1/20 0.35
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL27280171 0.84 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL13430620 0.80
SCHEMBL576392 0.79
SCHEMBL792712 0.79
SCHEMBL577267 0.77 ALDH1A1 (0.38) ALDH1A1SOAT1TDP1FFAR3
SCHEMBL27483727 0.77
Propane SCHEMBL29058758 0.73 ALDH1A1 (0.36) ALDH1A1SOAT1TDP1
SCHEMBL23069513 0.73 ALDH1A1 (0.52) ALDH1A1LMNAFFAR3
SCHEMBL18126339 0.73 DGKA (0.41) ALDH1A1LMNAHSD17B10TDP1
SCHEMBL28075534 0.73 CA12 (0.32) LMNA

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-118164943-A Axis chiral alkenyl flavonoid derivative and preparation method thereof 中国科学院大连化学物理研究所 2024-06-11 CN disclosed
CN-110437488-A A kind of environmental protection fluorine-free foaming agent and preparation method thereof LIANG JIAN 2019-11-12 CN disclosed