SCHEMBL2380334

SCHEMBL2380334

FC(F)(F)c1ccccc1C(F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 2/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 2/20 0.42
HSD11B1 P28845 2/20 0.40
NFKB1 P19838 1/20 0.40
HTR2C P28335 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL29441997 0.90 ALDH1A1 (0.52) LMNAGAAALDH1A1POLBTDP1
SCHEMBL63469 0.90 ALDH1A1 (0.52) LMNAGAAALDH1A1POLBTDP1
Hydrogen Sulfide SCHEMBL28274662 0.87 ALDH1A1 (0.50) LMNAGAAALDH1A1POLBTDP1
Bromide SCHEMBL29093546 0.84 ALDH1A1 (0.48) LMNAGAAALDH1A1POLBTDP1
Iodide SCHEMBL29093541 0.84 ALDH1A1 (0.48) LMNAGAAALDH1A1POLBTDP1
SCHEMBL5486293 0.79 GAA (0.45) LMNAGAAALDH1A1POLBTDP1
SCHEMBL6565488 0.79 ALDH1A1 (0.44) LMNAGAAALDH1A1POLBTDP1
SCHEMBL6564279 0.79 ALDH1A1 (0.63) ALDH1A1POLBTDP1L3MBTL1IDO1
Biphenyl SCHEMBL28821774 0.78 KIF11 (0.52) ALDH1A1POLBTDP1L3MBTL1IDO1
Lithium Ion SCHEMBL1493111 0.78 ALDH1A1 (0.42) LMNAGAAALDH1A1POLBTDP1

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-9782744-B2 Detection and molecular weight determination of organic vapors BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2017-10-10 US disclosed
US-20130303402-A1 Detection and Molecular Weight Determination of Organic Vapors Board of Supervisors of Louisiana State University and Agricultural and Mechinical College (US) 2013-11-14 US disclosed
US-20110217553-A1 Frozen Ionic Liquid Microparticles and Nanoparticles, and Methods for their Synthesis and Use U.S. DEPARTMENT OF ENERGY 2011-09-08 US disclosed