SCHEMBL28601116

SCHEMBL28601116

[N-]=[N+]=CC(=O)OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
FABP7 O15540 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
SCHEMBL26108037 0.82 HTT (0.32) HTTCYP1A2CYP2C9CYP2C19
SCHEMBL16828348 0.78 ALDH1A1 (0.36) HTTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL940855 0.77 HTT (0.52) HTTALDH1A1TP53CYP3A4MAPK1
SCHEMBL1255837 0.77 HTT (0.52) HTTALDH1A1TP53CYP3A4MAPK1
SCHEMBL1904263 0.77 HTT (0.52) HTTALDH1A1TP53CYP3A4MAPK1
SCHEMBL7706439 0.75
SCHEMBL6413948 0.75 HTT (0.50) HTTALDH1A1TP53CYP3A4MAPK1
SCHEMBL1143909 0.73 HTT (0.59) HTTALDH1A1FABP7
SCHEMBL42473 0.73 ALDH1A1 (0.59) HTTALDH1A1TP53CYP3A4MAPK1
SCHEMBL4678781 0.73 HTT (0.48) HTTALDH1A1TP53CYP3A4MAPK1

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-113061340-B Display device, polyimide precursor composition, polyimide film, and laminate 武汉柔显科技股份有限公司 2021-08-20 CN disclosed
CN-113061340-A Display device, polyimide precursor composition, polyimide film, and laminate 武汉柔显科技股份有限公司 2021-07-02 CN disclosed