SCHEMBL30004254

SCHEMBL30004254

F[B-](F)(F)F.F[B-](F)(F)F.c1ccc2c(c1)N=c1cc3c(cc1S2)=Nc1ccccc1S3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
TRPA1 O75762 1/20 0.40
DRD2 P14416 6/20 0.37
CHRM1 P11229 2/20 0.34
DRD3 P35462 2/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A3 Q01959 2/20 0.34
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL29352703 0.92 TRPA1 (0.45) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL54919 0.92 TRPA1 (0.45) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL30996212 0.78 BACE1 (0.33) BACE1
SCHEMBL21062864 0.77 TRPA1 (0.40) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL21062863 0.77 TRPA1 (0.40) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL817383 0.76 BACE1 (0.35) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL19322822 0.75 MAOA (0.42) BACE1LMNAMAPTNPC1RAB9A
SCHEMBL7785362 0.74 BACE1 (0.38) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL17289207 0.74 BACE1 (0.33) BACE1TRPA1DRD2CHRM1DRD3
SCHEMBL29120320 0.74 DRD2 (0.34) BACE1TRPA1DRD2CHRM1DRD3

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-112631032-B Composition for forming solution-type electrochromic layer, and electrochromic layer and electrochromic device prepared therefrom 青岛凯欧斯光电科技有限公司 2022-12-09 CN claimed
CN-112631033-B Composition for forming solution-type electrochromic layer, and electrochromic layer and electrochromic device prepared therefrom 青岛凯欧斯光电科技有限公司 2022-11-01 CN claimed
CN-109906219-B Near infrared absorbing compounds and devices incorporating same 金泰克斯公司 2023-12-12 CN disclosed