Fluoride

Fluoride

SCHEMBL943089

CCCCSc1ccccc1.CCCCSc1ccccc1.CCCCSc1ccccc1.F.F.F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 1/20 0.61
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 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
Fluoride SCHEMBL27793289 1.00 ALDH1A1 (0.61) ALDH1A1MAPK1MAOAMAOBMAPT
Hydrochloric Acid SCHEMBL27772312 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1MAOAMAOBMAPT
SCHEMBL4179998 0.98 ALDH1A1 (0.64) ALDH1A1MAPK1MAOAMAOBMAPT
SCHEMBL575895 0.98 ALDH1A1 (0.64) ALDH1A1MAPK1MAOAMAOBMAPT
Ammonia Solution, Strong SCHEMBL19133464 0.95 ALDH1A1 (0.61) ALDH1A1MAPK1MAOAMAOBMAPT
SCHEMBL23289811 0.93 ALDH1A1 (0.58) ALDH1A1MAPK1MAOAMAOBMAPT
Hydrochloric Acid SCHEMBL28004003 0.91 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBCYP1A2
Fluoride SCHEMBL27339407 0.91 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4EHDAC3HDAC4
SCHEMBL2860864 0.91 ALDH1A1 (0.61) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL7151793 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013550-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO claimed
US-8987516-B2 Process for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
EP-2468722-B1 Process for producing arylsulfur halotetrafluorides UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
EP-2468721-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2014-02-26 EP disclosed
EP-2468720-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-11-27 EP disclosed
EP-2468719-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-10-16 EP disclosed
EP-2137144-B1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2013-07-31 EP disclosed
US-8399720-B2 Methods for producing fluorinated phenylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2013-03-19 US disclosed
EP-2468722-A1 Process for producing arylsulfur halotetrafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468719-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-02-04 US disclosed
EP-2137144-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T Research, Inc. (US) 2009-12-30 EP disclosed
US-20090287024-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2009-11-19 US disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 US disclosed
WO-2009076345-A1 METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS IM & T RESEARCH, INC. (US) 2009-06-18 WO disclosed
EP-2046735-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T Research, Inc. (US) 2009-04-15 EP disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 WO disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 US disclosed
WO-2008013550-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 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 (3 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-20090287024-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA ALDH1A1 2190/4885MAPK1 794/4885MAOA 2138/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA ALDH1A1 2190/4885MAPK1 794/4885MAOA 2138/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA ALDH1A1 2190/4885MAPK1 794/4885MAOA 2138/4885

“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.