SCHEMBL28024709

SCHEMBL28024709

CC(c1cc(F)c(N)c(F)c1)(c1cc(F)c(N)c(F)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX5AP P20292 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
SCHEMBL28024707 0.79 POLB (0.56) POLB
SCHEMBL4827922 0.78 POLB (0.54) POLBHDAC1HDAC6ALOX5AP
SCHEMBL5514261 0.78 POLB (0.37) POLBHDAC1HDAC6ALOX5AP
SCHEMBL3323506 0.75 TSHR (0.41) HDAC1HDAC6
SCHEMBL20414508 0.69 PGK1 (0.40) POLB
SCHEMBL28024708 0.68 ALDH1A1 (0.35) HDAC1ALOX5AP
SCHEMBL2669995 0.68 POLB (0.43) POLB
SCHEMBL30214898 0.68 POLB (0.43) POLB
SCHEMBL10017655 0.67 KIF11 (0.50)
SCHEMBL25533221 0.67 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829853-B A kind of polyimide gas separating film and preparation method and application 中国科学院化学研究所 2017-12-12 CN claimed
CN-104829853-A Polyimide gas separation membrane as well as preparation method and applications thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN claimed
CN-104829853-B A kind of polyimide gas separating film and preparation method and application 中国科学院化学研究所 2017-12-12 CN disclosed
CN-104829853-A Polyimide gas separation membrane as well as preparation method and applications thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed