SCHEMBL7512340

SCHEMBL7512340

CCCC1CCC(C2CCC(C3CCC(CCC(F)(F)CC)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
CYP1A2 P05177 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
SCHEMBL17614844 0.84 TLR4 (0.34) TLR4CYP1A2
SCHEMBL8941536 0.83 TLR4 (0.36) TLR4CYP1A2
SCHEMBL9314822 0.83 TLR4 (0.36) TLR4CYP1A2
SCHEMBL7504964 0.81
SCHEMBL5836344 0.80 TLR4 (0.42) TLR4CYP1A2
SCHEMBL6697654 0.80 TLR4 (0.42) TLR4CYP1A2
SCHEMBL5836340 0.80 TLR4 (0.42) TLR4CYP1A2
SCHEMBL7507150 0.78 TLR4 (0.33) TLR4
SCHEMBL17614848 0.78 TLR4 (0.33) TLR4
SCHEMBL11019067 0.78 TLR4 (0.41) TLR4CYP1A2

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-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed