SCHEMBL6746655

SCHEMBL6746655

CCCC1CCC(C2CCC(C3CCCCC3CCOC(=O)C(F)(F)F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL6751283 0.85 TLR4 (0.38) TLR4
SCHEMBL6750673 0.77 TLR4 (0.38) TLR4
SCHEMBL6746653 0.74 TLR4 (0.32) TLR4
SCHEMBL6746586 0.71 TLR4 (0.38) TLR4
SCHEMBL4642815 0.69 ALDH1A1 (0.44) TLR4
SCHEMBL4642812 0.69 ALDH1A1 (0.44) TLR4
SCHEMBL4642806 0.69 ALDH1A1 (0.44) TLR4
Bicarbonate SCHEMBL10707225 0.66 CYP1A2 (0.43) TLR4CA1CA2CA4
Bicarbonate SCHEMBL8370971 0.66 CYP1A2 (0.43) TLR4CA1CA2CA4
SCHEMBL14954978 0.66 TLR4 (0.36) TLR4

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-6685995-B1 LOW VOLTAGE, WIDE TEMPERATURE RANGE DRIVING; HIGH SPEED RESPONSE CHISSO CORPORATION (JP) 2004-02-03 US disclosed
EP-1053996-A1 ESTER COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 2000-11-22 EP disclosed