SCHEMBL21989274

SCHEMBL21989274

CC(=O)OC(=O)C(C)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28357024 0.87 HTT (0.32)
SCHEMBL28769367 0.83 HTT (0.30)
SCHEMBL28357026 0.77 NAAA (0.33) ALDH1A1
SCHEMBL25288847 0.76 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10TDP1
SCHEMBL10710117 0.75 SMN1; SMN2 (0.42) ALDH1A1
SCHEMBL23130631 0.75 SMN1; SMN2 (0.42) ALDH1A1
SCHEMBL14085384 0.73 TSHR (0.42) TSHRTDP1
SCHEMBL28182305 0.73 HTT (0.30)
SCHEMBL3645364 0.73 HTT (0.30)
SCHEMBL25282827 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1745072-A Process for preparing 2-alkoxy-6- (trifluoromethyl) pyrimidin-4-ols LONZA AG (CH) 2006-03-08 CN claimed
CN-1222564-C Organosiloxane compositions DOW CORNING SA (BE) 2005-10-12 CN claimed
CN-1394221-A Organosiloxane compositions DOW CORNING SA (BE) 2003-01-29 CN claimed
EP-3651255-A1 ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE Daikin Industries, Ltd. (JP) 2020-05-13 EP disclosed
CN-104829605-A 1-substituted-5-trifluoromethyl-4-pyrazol-1,3,4-oxadiazole thioether or sulfone derivatives and application of derivatives UNIV GUIZHOU 2015-08-12 CN disclosed
CN-1745072-A Process for preparing 2-alkoxy-6- (trifluoromethyl) pyrimidin-4-ols LONZA AG (CH) 2006-03-08 CN disclosed
CN-1222564-C Organosiloxane compositions DOW CORNING SA (BE) 2005-10-12 CN disclosed
CN-1394221-A Organosiloxane compositions DOW CORNING SA (BE) 2003-01-29 CN disclosed
CN-1257067-A Process for preparing 2-(trihalogen acetyl)-3-(substituted amino)-2-ester acrylate ROHM & HAAS (US) 2000-06-21 CN disclosed