SCHEMBL28830003

SCHEMBL28830003

CC1=Cc2ccccc2C1(F)F.[Ti]

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ACHE P22303 1/20 0.31
PDK2 Q15119 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
SCHEMBL28073404 0.96 LMNA (0.31) LMNATSHRALOX12ACHEPDK2
SCHEMBL28073502 0.78
SCHEMBL27499720 0.74 S100A4 (0.32) LMNATSHRALOX12ACHE
SCHEMBL28073403 0.74
SCHEMBL28073395 0.74 CDC25A (0.31)
SCHEMBL2047468 0.73 PDK2 (0.34) LMNATSHRALOX12ACHEPDK2
Ammonia Solution, Strong SCHEMBL7083566 0.71 PDK2 (0.33) LMNATSHRALOX12ACHEPDK2
SCHEMBL28815299 0.71 PDK2 (0.33) LMNATSHRALOX12ACHEPDK2
SCHEMBL3697332 0.71 LMNA (0.38) LMNATSHRALOX12ACHE
SCHEMBL22616659 0.70 LMNA (0.31) LMNATSHRALOX12ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103509060-B Metallocene compound, the carbon monoxide-olefin polymeric comprising metallocene compound and the olefine polymerizing process of use metallocene compound 大林产业株式会社 2016-08-10 CN disclosed