SCHEMBL28632563

SCHEMBL28632563

O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
Hydrogen Peroxide SCHEMBL2051538 0.82 CA2 (0.33) ALDH1A1L3MBTL1
Bicarbonate SCHEMBL27594838 0.79 CA2 (0.33)
SCHEMBL27623481 0.79 CA2 (0.35)
SCHEMBL758883 0.79 CA2 (0.41) ALDH1A1L3MBTL1
SCHEMBL160 0.79 CA2 (0.41) ALDH1A1L3MBTL1
SCHEMBL758884 0.79 CA2 (0.41) ALDH1A1L3MBTL1
SCHEMBL52 0.79 CA2 (0.35)
Trifluoroacetic Acid SCHEMBL6200119 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8958370 0.76 CA2 (0.33)
SCHEMBL20135729 0.76 CA2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307753-B Preparation method of thioether derivative 华侨大学 2023-03-07 CN claimed
CN-113307753-A Preparation method of thioether derivative 华侨大学 2021-08-27 CN claimed
CN-113307753-B Preparation method of thioether derivative 华侨大学 2023-03-07 CN disclosed
CN-113307753-B Preparation method of thioether derivative 华侨大学 2023-03-07 CN disclosed
CN-113307753-A Preparation method of thioether derivative 华侨大学 2021-08-27 CN disclosed
CN-113307753-A Preparation method of thioether derivative 华侨大学 2021-08-27 CN disclosed