SCHEMBL28495472

SCHEMBL28495472

F[B-](F)(F)F.c1ccc([SH](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ACHE P22303 2/20 0.37
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
KIF11 P52732 1/20 0.31
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19928458 0.87 ALDH1A1 (0.40) ALDH1A1ACHESLC22A2SLC22A1SLC22A3
SCHEMBL25945433 0.83 ALDH1A1 (0.38) ALDH1A1ACHESLC22A2SLC22A1SLC22A3
SCHEMBL25501919 0.77 NFE2L2 (0.44) ALDH1A1ACHECYP2A6ALOX15NPC1
SCHEMBL25501920 0.77 NFE2L2 (0.44) ALDH1A1ACHECYP2A6ALOX15NPC1
SCHEMBL25523841 0.75 ALDH1A1 (0.47) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL25918999 0.75 MAOA (0.42) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL28710724 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25807071 0.73 MAOA (0.46) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
Biphenyl SCHEMBL1881607 0.72 ALDH1A1 (0.75) ALDH1A1ACHESLC22A2SLC22A1SLC22A3
Biphenyl SCHEMBL17388552 0.72 ALDH1A1 (0.75) ALDH1A1ACHESLC22A2SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574715-A Composition, packaging film containing composition, preparation method of packaging film and electronic device 中国乐凯集团有限公司 2020-08-25 CN claimed
CN-118302424-A Dielectric materials based on heteroaromatic extended bismaleimides 默克专利有限公司 2024-07-05 CN disclosed
CN-111574715-A Composition, packaging film containing composition, preparation method of packaging film and electronic device 中国乐凯集团有限公司 2020-08-25 CN disclosed