SCHEMBL4620124

SCHEMBL4620124

CCCCCCCCCCCCC(F)(F)C(F)(F)S(=O)(=O)Oc1nccn1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL15778947 0.73 TLR8 (0.37) TLR8CHRNB2CHRNA4KDM4EHTT
SCHEMBL2830180 0.70 ALDH1A1 (0.46) TLR8KDM4ELMNAMAPTHTT
SCHEMBL3914898 0.69 CHRNB2 (0.41) CHRNB2CHRNA4KDM4ELMNAMAPT
SCHEMBL5185067 0.68 TLR8 (0.33) TLR8KDM4ELMNAMAPTHTT
SCHEMBL27841536 0.66 CHRNB2 (0.40) TLR8CHRNB2CHRNA4MAPTHTT
SCHEMBL22951446 0.66 TLR8 (0.36) TLR8LMNAHTTALDH1A1POLB
SCHEMBL459536 0.66 CHRNB2 (0.40) CHRNB2CHRNA4KDM4EHTTSMN1; SMN2
SCHEMBL2722061 0.66 CHRNB2 (0.56) TLR8CHRNB2CHRNA4ALDH1A1POLB
SCHEMBL7643751 0.65 CES2 (0.44) KMT2A
SCHEMBL1681801 0.65 FPR2 (0.33) MAPTSMN1; SMN2ALDH1A1POLBKMT2A

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
EP-1882132-A2 HYBRID VAPOR COMPRESSION-ABSORPTION CYCLE E.I. du Pont de Nemours & Company (US) 2008-01-30 EP disclosed
WO-2006124776-A2 HYBRID VAPOR COMPRESSION-ABSORPTION CYCLE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-23 WO disclosed