SCHEMBL4404573

SCHEMBL4404573

C=CCCCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL4406926 0.98 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL4402632 0.97 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL4402626 0.96 ALDH1A1 (0.31) ALDH1A1MAPTHTTCYP2C9GABRA1
SCHEMBL19985248 0.92 ALOX5 (0.34)
SCHEMBL19985291 0.91 SCN9A (0.32) MAPTCYP2C9
SCHEMBL22277529 0.91 PTGES (0.33)
SCHEMBL19985264 0.91 PTGES (0.32) GABRA1GABRB2
SCHEMBL19985245 0.91 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL19985266 0.90 CNR1 (0.31) GABRA1GABRB2
SCHEMBL19985249 0.90 CNR1 (0.31) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
WO-2012016130-A2 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-02-02 WO disclosed