SCHEMBL9725306

SCHEMBL9725306

CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCC.O=S(=O)([O-])C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
SLC22A1 O15245 2/20 0.43
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 6/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SLC22A2 O15244 1/20 0.40

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
Tetrylammonium SCHEMBL29199489 0.86 DNM1 (0.55) DNM1SLC22A1TSHRHIF1AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL17180005 0.86 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL2857295 0.86 SLC22A1 (0.54) DNM1SLC22A1TSHRHIF1AALDH1A1
Tetrahexylammonium SCHEMBL2862380 0.86 SLC22A1 (0.54) DNM1SLC22A1TSHRHIF1AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL28812353 0.86 SLC22A1 (0.54) DNM1SLC22A1TSHRHIF1AALDH1A1
Didecyldimethylammonium SCHEMBL15203616 0.85 HTT (0.52) DNM1KCNH2HTT
SCHEMBL28720656 0.85 HTT (0.52) DNM1KCNH2HTT
SCHEMBL9725283 0.85 HTT (0.52) DNM1KCNH2HTT
Trifluoromethanesulfonic Acid SCHEMBL302110 0.84 SLC22A1 (0.52) DNM1SLC22A1TSHRHIF1AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL15466216 0.84 SLC22A1 (0.52) DNM1SLC22A1TSHRHIF1AALDH1A1

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-5114821-A Toner and developer compositions with charge enhancing additives XEROX CORPORATION (US) 1992-05-19 US claimed