SCHEMBL9418409

SCHEMBL9418409

F[B-](F)(F)F.N#[N+]c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MGLL Q99685 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
SCHEMBL9844846 0.93
Ammonia Solution, Strong SCHEMBL29141741 0.90 ACHE (0.36) ACHECES2CES1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7042703 0.90 ACHE (0.36) ACHECES2CES1ALDH1A1ALOX15
Fluoride Ion SCHEMBL11620623 0.90 ACHE (0.36) ACHECES2CES1ALDH1A1ALOX15
SCHEMBL6140634 0.82 CES2 (0.39) ACHECES2CES1
SCHEMBL4649309 0.79
SCHEMBL1578375 0.74 TSHR (0.39) CES2CES1ALDH1A1
SCHEMBL2155974 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL29106531 0.74 ALDH1A1 (0.39) ALDH1A1MGLL
SCHEMBL6469339 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3232828-A None JP disclosed
JP-59067232-A None JP disclosed
JP-6065121-A None JP disclosed
CN-118221690-A Chromone pyridazine compound and synthetic method and application thereof 昆明理工大学 2024-06-21 CN disclosed
CN-112876416-B Diaryl formyl substituted pyrazole compound and preparation method thereof 浙大城市学院 2022-03-29 CN disclosed
CN-112876416-A Diaryl formyl substituted pyrazole compound and preparation method thereof 浙大城市学院 2021-06-01 CN disclosed
US-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light Universität Heidelberg (DE) 2020-01-30 US disclosed
EP-3555029-A1 GOLD-CATALYZED C-C CROSS-COUPLING OF BORON- AND SILICON-CONTAINING ARYL COMPOUNDS AND ARYLDIAZONIUM COMPOUNDS BY VISIBLE-LIGHT Universität Heidelberg (DE) 2019-10-23 EP disclosed
WO-2018114914-A1 GOLD-CATALYZED C-C CROSS-COUPLING OF BORON- AND SILICON-CONTAINING ARYL COMPOUNDS AND ARYLDIAZONIUM COMPOUNDS BY VISIBLE-LIGHT Universität Heidelberg (DE) 2018-06-28 WO disclosed
EP-3336075-A1 GOLD-CATALYZED C-C CROSS-COUPLING OF BORON- AND SILICON-CONTAINING ARYL COMPOUNDS AND ARYLDIAZONIUM COMPOUNDS BY VISIBLE-LIGHT Universität Heidelberg (DE) 2018-06-20 EP disclosed
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS Universite de Bordeaux (FR) 2015-07-09 US disclosed
EP-2684887-B1 New process for preparing arylboranes by arylation of organoboron compounds UNIV BORDEAUX (FR) 2015-06-17 EP disclosed
EP-2872519-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS UNIVERSITE DE BORDEAUX (FR) 2015-05-20 EP disclosed
WO-2014009169-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS UNIVERSITE DE BORDEAUX 1 (FR) 2014-01-16 WO disclosed
EP-2684887-A1 New process for preparing arylboranes by arylation of organoboron compounds UNIVERSITE DE BORDEAUX I (FR) 2014-01-15 EP disclosed
WO-2012150280-A2 PREPARATION OF 4,4-DIALKOXY-1-BUTEN-1-YLARENES LONZA LTD (CH) 2012-11-08 WO disclosed
WO-2012150281-A1 PREPARATION OF 3,3-DIALKXOY-1-METHYLENEPROPYL ARENES LONZA LTD (CH) 2012-11-08 WO disclosed
JP-H0665121-A PRODUCTION OF 1,2-DIFLUOROBENZENE SEIMI CHEM CO LTD 1994-03-08 JP disclosed
JP-H03232828-A PRODUCTION OF 1,2-DIFLUOROBENZENE MORITA KAGAKU KOGYO KK 1991-10-16 JP disclosed
JP-S5967232-A NOVEL METHOD FOR PREPARING O-DIFLUOROBENZENE OTSUKA PHARMACEUT CO LTD 1984-04-16 JP 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-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light HCCS, AHR, CTRC ACHE 2400/4885CES2 271/4885CES1 1278/4885
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS NISCH, BRD7, BRSK2 ACHE 3213/4885CES2 1383/4885CES1 2989/4885

“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.