SCHEMBL28696744

SCHEMBL28696744

CN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
ACLY P53396 2/20 0.33
MAPT P10636 1/20 0.33
MLYCD O95822 1/20 0.30
LSS P48449 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
Dimethylaminoethanol SCHEMBL1131211 0.88 MAPT (0.50) THRBACLYMAPTMLYCD
Trifluoroacetic Acid SCHEMBL3202270 0.85 MAPT (0.38) THRBMAPTMLYCDLSS
SCHEMBL28710792 0.80 ARG1 (0.43) THRBACLYMAPTLSS
SCHEMBL28703641 0.79 ARG1 (0.33) THRBACLYMLYCD
Bicarbonate SCHEMBL10946736 0.77 MAPT (0.47) THRBMAPT
Dimethylaminoethanol SCHEMBL1131545 0.76 THRB (0.48) THRBACLYMAPTMLYCD
SCHEMBL1131866 0.76 KDM5A (0.38)
Acetic Acid SCHEMBL11055551 0.74 MAPT (0.45) THRBMAPT
SCHEMBL63977 0.74 THRB (0.58) THRBACLY
Monoethanolamine SCHEMBL1835204 0.73 THRB (0.42) THRBACLYMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149302-B Preparation method of 2,2,3,3,3-pentafluoropropanol 湖北孚诺林新材料有限公司 2022-12-09 CN disclosed
CN-114195658-B Method for continuously preparing alkyl penta-fluoropropionate amine ester 湖北孚诺林新材料有限公司 2022-12-09 CN disclosed
CN-114149302-A Preparation method of 2,2,3,3, 3-pentafluoropropanol 湖北孚诺林新材料有限公司 2022-03-08 CN disclosed