Fluoride

Fluoride

SCHEMBL914959

CC(C)OCc1cc(C(C)(C)C)cc(COC(C)C)c1[S].CC(C)OCc1cc(C(C)(C)C)cc(COC(C)C)c1[S].CC(C)OCc1cc(C(C)(C)C)cc(COC(C)C)c1[S].F.F.F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN1 P18031 1/20 0.32
ATM Q13315 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL12705776 0.81 HMGCR (0.36) HMGCRGABRA1GABRB2CYP2C19L3MBTL1
SCHEMBL914908 0.80 PTPN1 (0.42) HMGCRGABRA1GABRB2CYP2C19L3MBTL1
Fluoride SCHEMBL915028 0.79 GABRA1 (0.37) GABRA1GABRB2CYP2C19
Fluoride SCHEMBL914393 0.79 PTPN1 (0.35) GABRA1GABRB2CYP2C19L3MBTL1PTPN1
SCHEMBL914312 0.79 HMGCR (0.34) HMGCRGABRA1GABRB2CYP2C19L3MBTL1
Fluoride SCHEMBL914578 0.78 GABRA1 (0.35) GABRA1GABRB2CYP2C19
Fluoride SCHEMBL915855 0.76 GABRA1 (0.34) HMGCRGABRA1GABRB2CYP2C19
SCHEMBL914960 0.76 ATM (0.33) HMGCRGABRA1GABRB2CYP2C19PTPN1
SCHEMBL12705774 0.76 HMGCR (0.33) HMGCRGABRA1GABRB2CYP2C19PTPN1
SCHEMBL12905796 0.73 HMGCR (0.34) HMGCRCYP2C19ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US claimed
EP-2046735-B1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS UBE INDUSTRIES (JP) 2015-05-06 EP claimed
US-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents UBE INDUSTRIES, LTD. (JP) 2014-08-21 US claimed
US-8710270-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2014-04-29 US claimed
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents IM&T RESEARCH, INC. (US) 2011-01-13 US claimed
US-7381846-B2 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-06-03 US claimed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US claimed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
EP-2046735-B1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS UBE INDUSTRIES (JP) 2015-05-06 EP disclosed
US-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents UBE INDUSTRIES, LTD. (JP) 2014-08-21 US disclosed
US-8710270-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2014-04-29 US disclosed
US-7919635-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2011-04-05 US disclosed
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents IM&T RESEARCH, INC. (US) 2011-01-13 US disclosed
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T RESEARCH, INC. (US) 2009-08-13 US disclosed
US-7501543-B2 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2009-03-10 US disclosed
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2008-09-11 US disclosed
US-7381846-B2 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-06-03 US disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 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 (5 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-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL HMGCR 3386/4885GABRA1 1880/4885GABRB2 1624/4885
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL HMGCR 3386/4885GABRA1 1880/4885GABRB2 1624/4885
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates PFAS, STS, SCLY HMGCR 3561/4885GABRA1 2085/4885GABRB2 1404/4885
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS PFAS, FRS2, FBL HMGCR 3386/4885GABRA1 1880/4885GABRB2 1624/4885
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective TST, DDT, ESD HMGCR 3455/4885GABRA1 2677/4885GABRB2 1813/4885

“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.