SCHEMBL29100191

SCHEMBL29100191

Fc1cccc(C(F)c2ccccc2C(F)c2cccc(F)c2F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
BCHE P06276 1/20 0.37
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
SLC6A2 P23975 2/20 0.33
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NFE2L2 Q16236 3/20 0.32
CYP3A4 P08684 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL16956757 0.80 CES2 (0.47) CES2CES1BCHEIDO1TDO2
SCHEMBL29206337 0.77 CES2 (0.39) CES2CES1BCHELMNAMAPT
SCHEMBL7777116 0.76 CES2 (0.53) CES2CES1BCHEIDO1TDO2
SCHEMBL6405941 0.76 CES2 (0.44) CES2CES1BCHEIDO1TDO2
SCHEMBL6824093 0.76 CES2 (0.44) CES2CES1BCHEIDO1TDO2
SCHEMBL1600457 0.76 CES2 (0.44) CES2CES1BCHEIDO1TDO2
SCHEMBL28753039 0.76 IMPDH2 (0.44) BCHEACHELMNAGABRA1HPGD
SCHEMBL420964 0.73 GABRA1 (0.48) CES2CES1BCHESLC6A2CYP3A4
SCHEMBL3310094 0.73 CES2 (0.46) CES2CES1BCHEIDO1TDO2
SCHEMBL15920915 0.73 CES2 (0.46) CES2CES1BCHESLC6A2SLC6A4

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-112823184-B Method for producing transparent polyimide film 株式会社钟化 2023-11-07 CN disclosed