SCHEMBL14947429

SCHEMBL14947429

CC(OB(OC(C)C(F)(F)F)c1ccccc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 3/20 0.33
ORAI1 Q96D31 2/20 0.33
ORAI2 Q96SN7 2/20 0.33
ORAI3 Q9BRQ5 2/20 0.33
CA4 P22748 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
ENPP2 Q13822 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30
TSHR P16473 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
SCHEMBL12062026 0.79 TRPV6 (0.36) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL2400555 0.76 ORAI1 (0.40) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL16773764 0.75 HTR2A (0.31)
SCHEMBL28060320 0.68 KDM4E (0.39) CA4ALDH1A1TSHR
SCHEMBL18833426 0.68 KDM4E (0.39) CA4ALDH1A1TSHR
SCHEMBL874878 0.67 TRPV6 (0.40) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL18416564 0.67
Water SCHEMBL27584114 0.67 TRPV6 (0.32) TRPV6ORAI1ORAI2ORAI3
SCHEMBL2885875 0.67 SMN1; SMN2 (0.39) TRPV6ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL7469688 0.65 ANPEP (0.38) ALDH1A1TSHR

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
US-8968921-B2 Fluoride ion electrochemical cell CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-20140030559-A1 LITHIUM ION FLUORIDE ELECTROCHEMICAL CELL CALIFORNIA INSTITUTE OF TECHNOLOGY 2014-01-30 US disclosed
US-20130122361-A1 FLUORIDE ION ELECTROCHEMICAL CELL NASA 2013-05-16 US disclosed