SCHEMBL7549121

SCHEMBL7549121

Fc1cc(Cl)c(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
IDO1 P14902 1/20 0.34
CYP3A4 P08684 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
PDK2 Q15119 1/20 0.31
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
AHR P35869 1/20 0.30
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
SCHEMBL2938245 0.84 CES2 (0.42) CA12CA1CA9IDO1CES2
SCHEMBL27786798 0.80
SCHEMBL4929798 0.80 GAA (0.41) CA12CA1CA9CYP3A4GAA
SCHEMBL18302718 0.80 GAA (0.32) GAAAHR
SCHEMBL13550169 0.80 RAPGEF4 (0.34) CYP3A4
SCHEMBL30543313 0.80 GAA (0.32) GAAAHR
SCHEMBL29472174 0.79 ALDH1A1 (0.53) CA12CA1CA9IDO1CYP3A4
SCHEMBL3682577 0.79 ALDH1A1 (0.53) CA1CA9CYP3A4CES1MAPK1
SCHEMBL6741646 0.78 RAPGEF4 (0.33) CYP3A4
Methyl Alcohol SCHEMBL28266439 0.78 CES2 (0.43) CA12CA1CA9IDO1CES2

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
EP-0838242-B1 Thermally responsive frangible bulb TYCO FIRE PRODUCTS MFG LTD (GB) 2002-06-05 EP disclosed
US-5967238-A USED TO AUTOMATICALLY RELEASE QUICK RESPONSE, FIRE PROTECTION SPRINKLERS, LIQUID EXPANDS TO FILL AND FRACTURE THE BULB WHEN HEATED, HALOGEN DERIVATIVE OF AN AROMATIC HYDROCARBON CONTAINING TWO OR MORE HALOGEN SUBSTITUENTS, AN ALIPHATIC GRINNELL MANUFACTURING (UK) LIMITED (GB) 1999-10-19 US disclosed
EP-0838242-A2 Thermally responsive frangible bulb Grinnell Manufacturing (UK) Limited (GB) 1998-04-29 EP disclosed