Fluoride

Fluoride

SCHEMBL9620535

CN(C)C1CCCCC1.F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 8/20 0.48
ADH1C P00326 5/20 0.48
PHGDH O43175 2/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
ADH1B P00325 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HRH4 Q9H3N8 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ADH4 P08319 1/20 0.33

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 SCHEMBL11298137 1.00 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL612962 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL28469806 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL15595 0.97
SCHEMBL283931 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL13356252 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL612785 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL1679002 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20733112 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL1674941 0.97 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296661-B1 SINGLE-PHASE COMPOSITION CONTAINING A PERFLUORINATED OIL AND ONE OR MORE SURFACTANT(S), USEFUL AS AN EXCIPIENT FOR COSMETIC AND DERMATOLOGIC FORMULATIONS, AS WELL AS FOR BIOMEDICAL APPLICATIONS ENIRICERCHE S.p.A. (IT) 1992-01-22 EP disclosed
US-4942179-A ISOTROPIC OR ANISOTROPIC FORMULATION AND FLUOROPHOSPHATE SURFACTANTS ENIRICHERCHE S.P.A. (IT) 1990-07-17 US disclosed
EP-0296661-A2 Single-phase composition containing a perfluorinated oil and one or more surfactant(s), useful as an excipient for cosmetic and dermatologic formulations, as well as for biomedical applications ENIRICERCHE S.p.A. (IT) 1988-12-28 EP disclosed
US-4325972-A BLOOD SUBSTITUTE AIR PRODUCTS AND CHEMICALS, INC. (US) 1982-04-20 US disclosed