Fluoride

Fluoride

SCHEMBL4551986

F.F.F.O=[N+]([O-])c1ccc(F)cc1.O=[N+]([O-])c1ccc(F)cc1.O=[N+]([O-])c1ccc(F)cc1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.72
POLB P06746 1/20 0.64
KCNJ1 P48048 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 4/20 0.54
ACHE P22303 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.51
ALOX12 P18054 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
Fluoride SCHEMBL4551988 1.00 HSPB1 (0.72) HSPB1POLBKCNJ1KCNH2ALDH1A1
SCHEMBL7026994 0.97 HSPB1 (0.75) HSPB1POLBKCNJ1KCNH2ALDH1A1
SCHEMBL536 0.97 HSPB1 (0.75) HSPB1POLBKCNJ1KCNH2ALDH1A1
SCHEMBL28001935 0.95 HSPB1 (0.72) HSPB1POLBKCNJ1KCNH2ALDH1A1
Water SCHEMBL28147677 0.95 HSPB1 (0.72) HSPB1POLBKCNJ1KCNH2ALDH1A1
Ethylene SCHEMBL27864908 0.92 HSPB1 (0.69) HSPB1POLBKCNJ1KCNH2ALDH1A1
Ethane SCHEMBL28251595 0.92 HSPB1 (0.69) HSPB1POLBKCNJ1KCNH2ALDH1A1
Formaldehyde SCHEMBL28237406 0.92 HSPB1 (0.69) HSPB1POLBKCNJ1KCNH2ALDH1A1
Methyl Alcohol SCHEMBL28785209 0.90 HSPB1 (0.67) HSPB1POLBKCNJ1KCNH2ALDH1A1
SCHEMBL2961612 0.90 HSPB1 (0.67) HSPB1POLBKCNJ1KCNH2ALDH1A1

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-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 HSPB1 3700/4885POLB 4455/4885KCNJ1 3612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.