SCHEMBL28817857

SCHEMBL28817857

CCCN1C=CC=CC1.COCCOCCOCCOCCC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL28817963 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28005350 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28005616 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28817962 0.91
SCHEMBL28005291 0.90
SCHEMBL28005254 0.90
SCHEMBL28005621 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28005609 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28005251 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28005278 0.84 KDM4E (0.30) ALDH1A1

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