Fluoride

Fluoride

SCHEMBL84275

C=CCN([S])CC=C.F.F.F

nearest known ligand 0.31

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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 SCHEMBL11497479 1.00
Fluoride SCHEMBL10706543 1.00 ALDH1A1 (0.31) ALDH1A1
Fluoride SCHEMBL4907712 1.00 ALDH1A1 (0.31) ALDH1A1
Fluoride SCHEMBL10706553 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1270517 0.96
Fluoride SCHEMBL1264751 0.69 TSHR (0.40) ALDH1A1
Fluoride SCHEMBL635869 0.69 TSHR (0.40) ALDH1A1
SCHEMBL9056715 0.67
SCHEMBL7828526 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11070461 0.65 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US claimed
WO-2009076166-A2 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO claimed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US claimed
EP-2057111-A1 A LARGE SCALE METHOD FOR THE DEOXOFLUORINATION OF KETONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-13 EP claimed
US-20080269512-A1 Large Scale Method for the deoxofluorination of ketones BAYER SCHERING PHARMA AG (DE) 2008-10-30 US claimed
CN-101233098-A Process for the preparation of geminal ((difluorocycloalkyl) methyl) amines ASTRAZENECA AB (SE) 2008-07-30 CN claimed
US-20080167488-A1 Process for the Preparation of Geminal ((Difluorocycloalkyl)Methyl) Amines ASTRAZENECA AB (SE) 2008-07-10 US claimed
EP-1912930-A1 PROCESS FOR THE PREPARATION OF GEMINAL ((DIFLUOROCYCLOALKYL)METHYL) AMINES. AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2008022791-A1 A LARGE SCALE METHOD FOR THE DEOXOFLUORINATION OF KETONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 WO claimed
EP-1892231-A1 A large scale method for the deoxofluorination of ketones Bayer Schering Pharma Aktiengesellschaft (DE) 2008-02-27 EP claimed
EP-0546179-A1 4-O-(AMINOGLYCOSYL)- OR 4,6-DI-O-(AMINOGLYCOSYL)-2,5-DIDEOXY-5,5-DIFLUOROSTREPTAMINE DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1993-06-16 EP claimed
EP-0453247-A2 Anti-viral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-23 EP claimed
US-4999429-A Process for the preparation of α,α,β-1-trifluoro-1-olefinic derivatives ETHYL CORPORATION (US) 1991-03-12 US claimed
EP-0254268-B1 FLUORINATED NUCLEOSIDES,THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AGAINST AIDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-09-19 EP claimed
EP-0259014-A2 5-Deoxy-5-fluorokanamycin B derivatives and processes for the production thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-03-09 EP claimed
US-4284764-A Process for the preparation of 5-fluoro-5-deoxy and 5-epi-fluoro-5-deoxy-4,6-di-O-(aminoglycosyl)-1,3-diaminocyclitols and novel 5-fluoro-5-deoxy and 5-epi-fluoro-5-deoxy derivatives produced thereby SCHERING CORPORATION (US) 1981-08-18 US claimed
US-4263214-A REACTING WITH DIALKYLAMINO SULFUR TRIFLUORIDE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-04-21 US claimed
WO-1980000339-A1 PROCESS FOR PREPARING 1-FLUORINATED VITAMIN D COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 1980-03-06 WO claimed
WO-1980000338-A1 PROCESS FOR PREPARING SIDE CHAIN FLUORINATED VITAMIN D COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 1980-03-06 WO claimed
US-4188345-A FLUORINATION OF A 3,5-CYCLOVITAMIN D COMPOUND WITH A DIALKYLAMINO-SULFUR TRIFLUORIDE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-02-12 US claimed

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-20080167488-A1 Process for the Preparation of Geminal ((Difluorocycloalkyl)Methyl) Amines GMNN, GNMT, DNMT1 ALDH1A1 1783/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 ALDH1A1 637/4885

“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.