Fluoride

Fluoride

SCHEMBL28046161

CCC(C(=O)O)C(=O)c1ccccc1.F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.57
PGR P06401 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTNNB1 P35222 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL442090 0.98 MDM2 (0.59) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL1704486 0.91 MDM2 (0.61) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL3163300 0.86 MDM2 (0.55) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL8882147 0.86 MDM2 (0.55) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL21066783 0.84 MDM2 (0.46) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL21066787 0.84 MDM2 (0.46) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL5706319 0.84 MDM2 (0.53) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL4871582 0.84 MDM2 (0.53) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL4871565 0.84 MDM2 (0.53) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL4871573 0.84 MDM2 (0.53) MDM2PGRADRA2AADRA2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-204918429-U Production is to mechanical device of fluorine benzoyl butyric acid XINYI WANYU INDUSTRY AND TRADE CO LTD 2015-12-30 CN disclosed
CN-204918429-U Production is to mechanical device of fluorine benzoyl butyric acid XINYI WANYU INDUSTRY AND TRADE CO LTD 2015-12-30 CN disclosed