Fluoride

Fluoride

SCHEMBL10012083

CC(C)C1CCC(C)(C(=O)O)CC1.F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.52
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
OPRL1 P41146 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL663384 0.98 FFAR3 (0.54) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL2701836 0.98 FFAR3 (0.54) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL6064720 0.86 FFAR3 (0.44) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL3191388 0.86 FFAR3 (0.44) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL6064722 0.86 FFAR3 (0.44) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL3191376 0.86 FFAR3 (0.44) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL3187205 0.86 FFAR3 (0.44) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL4539886 0.86 FFAR3 (0.44) FFAR3MAPK1NPSR1OPRL1TP53
SCHEMBL25287762 0.79 FFAR3 (0.52) FFAR3MAPK1NPSR1TP53NFKB1
SCHEMBL10012078 0.79 FFAR3 (0.31) FFAR3OPRL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660233-B1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2016-11-16 EP claimed
EP-2660232-B1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2016-04-27 EP claimed
US-9029613-B2 Alicyclic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-05-12 US claimed
US-20130345477-A1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2013-12-26 US claimed
US-20130338403-A1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-19 US claimed
EP-2660233-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP claimed
EP-2660232-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP claimed
EP-2660233-B1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2016-11-16 EP disclosed
EP-2660232-B1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2016-04-27 EP disclosed
CN-103502189-B Novel alicyclic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-17 CN disclosed
CN-103502190-B Novel alicyclic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-17 CN disclosed
US-9056820-B2 Alicyclic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-06-16 US disclosed
US-9056820-B2 Alicyclic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-06-16 US disclosed
US-20130338403-A1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-19 US disclosed
EP-2660232-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP disclosed
EP-2660233-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP disclosed
EP-2660233-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP disclosed
EP-2660232-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP disclosed
WO-2012090976-A1 NOVEL ALICYCLIC ALCOHOL 三菱瓦斯化学株式会社 (JP) 2012-07-05 WO disclosed
WO-2012090977-A1 NOVEL ALICYCLIC ALCOHOL 三菱瓦斯化学株式会社 (JP) 2012-07-05 WO 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 (2 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-20130338403-A1 NOVEL ALICYCLIC ALCOHOL FIP1L1, FABP1, ADH1A FFAR3 735/4885MAPK1 1774/4885NPSR1 4877/4885
US-20130345477-A1 NOVEL ALICYCLIC ALCOHOL FIP1L1, FABP1, CLIC1 FFAR3 853/4885MAPK1 1996/4885NPSR1 4880/4885

“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.