SCHEMBL21097680

SCHEMBL21097680

CC(F)(F)CC1CCC(C2CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.32

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
SCHEMBL13464765 0.86 CYP1A2 (0.42) CYP1A2
SCHEMBL12898379 0.83
SCHEMBL17614836 0.83
SCHEMBL17614833 0.83
SCHEMBL10468230 0.82 ALDH1A1 (0.38) ALDH1A1CYP1A2
SCHEMBL17614831 0.81 TLR4 (0.35) CYP1A2
SCHEMBL17614842 0.76 CYP1A2 (0.41) ALDH1A1CYP1A2
SCHEMBL18559467 0.76
SCHEMBL24113782 0.75 THRA (0.31)
SCHEMBL9844651 0.71 ALDH1A1 (0.47) ALDH1A1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275972-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-06-19 EP disclosed