SCHEMBL28098550

SCHEMBL28098550

Fc1cccc(F)c1.OC(=S)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
IDO1 P14902 1/20 0.45
NFE2L2 Q16236 2/20 0.44
PARP1 P09874 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
CTSL P07711 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL13329 0.82
Methyl Alcohol SCHEMBL27948423 0.79 ACHE (0.60) CES2CES1ACHEMEN1KMT2A
SCHEMBL29045690 0.78
SCHEMBL29031992 0.78 ACHE (0.58) CES2CES1ACHEIDO1NFE2L2
Ammonia Solution, Strong SCHEMBL2163669 0.78
SCHEMBL30577824 0.78 ACHE (0.58) CES2CES1ACHEIDO1NFE2L2
Hydrochloric Acid SCHEMBL1701450 0.78
SCHEMBL28445505 0.78 ACHE (0.58) CES2CES1ACHEIDO1NFE2L2
SCHEMBL30097987 0.78
SCHEMBL29032007 0.78

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-106104773-B Crystal growth controlling agent, the forming method of p-type semiconductor particulate or p-type semiconductor particulate film, hole transmission layer formation composition and solar cell 东京应化工业株式会社 2018-02-16 CN disclosed
CN-106104773-A Crystal growth controlling agent, p-type semiconductor microgranule or the forming method of p-type semiconductor microgranule film, hole transmission layer formation compositions and solaode 东京应化工业株式会社 2016-11-09 CN disclosed