SCHEMBL29612790

SCHEMBL29612790

Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Sn+3]c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Benzene SCHEMBL28592113 0.82
Biphenyl SCHEMBL1360026 0.80 ALDH1A1 (0.47) ALDH1A1
SCHEMBL7173236 0.78 ALDH1A1 (0.32) ALDH1A1
Aniline SCHEMBL341593 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9287964 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8734252 0.76 ALDH1A1 (0.30) ALDH1A1
Benzenethiol SCHEMBL10321255 0.76 GAA (0.32) ALDH1A1
Aniline SCHEMBL7723107 0.76 TSHR (0.52) ALDH1A1
Toluene SCHEMBL27946707 0.76 ACHE (0.52) ALDH1A1
Iodobenzene SCHEMBL9287961 0.76 ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524840-A Photoacid generators 国际商业机器公司 2022-05-24 CN claimed
CN-114524840-A Photoacid generators 国际商业机器公司 2022-05-24 CN disclosed