SCHEMBL14070899

SCHEMBL14070899

Fc1ccc2c(c1C(F)F)OCCC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTR1A P08908 2/20 0.30
KCNH2 Q12809 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
SCHEMBL1142545 0.78 CTNNB1 (0.34) HTR2AHTR2CHTR2BHTR1A
SCHEMBL30566393 0.78 CTNNB1 (0.34) HTR2AHTR2CHTR2BHTR1A
SCHEMBL14070904 0.76 HTR2A (0.30) HTR2AHTR2CHTR2BHTR1AKCNH2
SCHEMBL25166676 0.75 HTR2A (0.32) HTR2AHTR2CHTR2BHTR1A
SCHEMBL8948595 0.75 ACHE (0.37) HTR2AHTR2CHTR2BHTR1A
SCHEMBL23870268 0.75 HTR2A (0.32) HTR2AHTR2CHTR2BHTR1A
SCHEMBL27051609 0.74 PARP1 (0.34)
SCHEMBL14070891 0.72 KCNH2 (0.33) HTR2AHTR2CHTR2BHTR1AKCNH2
SCHEMBL1812982 0.71 ACHE (0.42) HTR2AHTR2CHTR1A
SCHEMBL14070913 0.70 PARP1 (0.38) HTR1A

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
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed