SCHEMBL28005257

SCHEMBL28005257

CCCN1C=CN(C)C1.CCOCCOCCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PLA2G4B P0C869 1/20 0.31

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
SCHEMBL28005357 0.93 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL28005623 0.92 PLA2G4B (0.34) ALDH1A1TSHRPLA2G4B
SCHEMBL28005250 0.90 ALDH1A1 (0.33) ALDH1A1PLA2G4B
SCHEMBL28005382 0.90 ALDH1A1 (0.33) ALDH1A1PLA2G4B
SCHEMBL28005256 0.90 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL28005265 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28005271 0.88 DGAT1 (0.31) ALDH1A1
SCHEMBL28005626 0.88 DGAT1 (0.31) ALDH1A1
SCHEMBL28005605 0.83 ALDH1A1 (0.34) ALDH1A1TSHRPLA2G4B
SCHEMBL28005313 0.82 ALDH1A1 (0.32) ALDH1A1TSHR

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-104837801-A Onium salt, liquid composition containing onium salt and cellulose, and cellulose recovery method KOEI CHEMICAL CO 2015-08-12 CN disclosed