SCHEMBL29049032

SCHEMBL29049032

COC(=O)OCC(F)F.O=C(OCC(F)F)OCC(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
ACACB O00763 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL320528 0.97
SCHEMBL320430 0.89 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL30584565 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30747205 0.85 TSHR (0.36) ALDH1A1TSHR
SCHEMBL29184385 0.83 HTT (0.45)
SCHEMBL29184386 0.83
SCHEMBL575131 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHR
SCHEMBL30747201 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHR
SCHEMBL321648 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4944072 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583980-A Electrolyte composition for lithium metal battery 索尔维公司 2023-08-11 CN disclosed