SCHEMBL20111062

SCHEMBL20111062

CCCCC1CCC(C(F)(F)Oc2cc(F)c(C)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL19844684 0.96 CYP1A2 (0.32) CYP1A2
SCHEMBL20111061 0.96 NOS1 (0.32) CYP1A2SCN9A
SCHEMBL17716248 0.92 NOS1 (0.30)
SCHEMBL20111059 0.92 SCN9A (0.32) SCN9A
SCHEMBL20063286 0.92
SCHEMBL20118268 0.90 CYP1A2 (0.35) CYP1A2SCN9ALMNAMAPK1HTT
SCHEMBL20063284 0.88
SCHEMBL16789600 0.88 TLR4 (0.31) SCN9A
SCHEMBL20111060 0.87 SCN9A (0.32) SCN9A
SCHEMBL19844687 0.87

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
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed