SCHEMBL439846

SCHEMBL439846

Fc1cc(F)c(F)c(Br)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
APEX1 P27695 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
SCHEMBL6553501 0.97 CA1 (0.36) CA1CA2CA4CA12CA7
Ethylene SCHEMBL27505929 0.94 CA1 (0.35) CA1CA2CA4CA12CA7
Bromide SCHEMBL10982440 0.94 CA1 (0.35) CA1CA2CA4CA12CA7
Bromide SCHEMBL10982443 0.94 CA1 (0.35) CA1CA2CA4CA12CA7
Cyanide SCHEMBL21633856 0.91 CA1 (0.33) CA1CA2CA4CA12CA7
SCHEMBL28420644 0.87 AKR1B1 (0.35) CA1CA2CA4CA12CA7
SCHEMBL4601309 0.84 CA12 (0.33) CA1CA2CA12CA7CA13
Phosphoric Acid SCHEMBL28983528 0.84 CA1 (0.39) CA1CA2CA4CA12CA7
Acetonitrile SCHEMBL28945834 0.84 CA1 (0.30) CA1CA2CA4CA12CA7
SCHEMBL28498845 0.82 CA1 (0.32) CA1CA2CA4CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543319-A1 METHOD OF MARKING HYDROCARBON LIQUIDS Johnson Matthey Public Limited Company (GB) 2019-09-25 EP claimed
US-20140120626-A1 METHOD OF MARKING HYDROCARBON LIQUIDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-05-01 US claimed
EP-2707465-A1 METHOD OF MARKING HYDROCARBON LIQUIDS Johnson Matthey Public Limited Company (GB) 2014-03-19 EP claimed
WO-2012153132-A1 METHOD OF MARKING HYDROCARBON LIQUIDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-11-15 WO claimed
EP-1362860-B1 Method for producing tetrakis (fluoraryl)borate magnesium compound NIPPON CATALYTIC CHEM IND (JP) 2010-09-15 EP claimed
US-7205441-B2 Method for producing tetrakis (fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2007-04-17 US claimed
US-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-20 US claimed
EP-1362860-A1 Method for producing tetrakis (fluoroaryl) borate magnesium compound Nippon Shokubai Co., Ltd. (JP) 2003-11-19 EP claimed
CN-119264164-A Continuous synthesis method of polyfluoroaryl borate 吉林大学 2025-01-07 CN disclosed
WO-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 WO disclosed
US-20240082830-A1 TRIARYL BORANE CATALYSTS AND METHOD FOR SELECTIVE HYDROSILYLATION OF ESTERS AND LACTONES USING SAID CATALYSTS ALDEXCHEM KFT. (HU) 2024-03-14 US disclosed
EP-4263560-A1 TRIARYL BORANE CATALYSTS AND METHOD FOR SELECTIVE HYDROSILYLATION OF ESTERS AND LACTONES USING SAID CATALYSTS AldexChem Kft. (HU) 2023-10-25 EP disclosed
CN-116685594-A Triarylborane catalysts and methods for selective hydrosilylation of esters and lactones using the same 阿尔迪斯化学有限责任公司 2023-09-01 CN disclosed
CN-114656466-B Benzo-fused carbazole and indolocarbazole derivative and application of organic electroluminescent device based on benzo-fused carbazole and indolocarbazole derivative 常州大学 2023-06-27 CN disclosed
WO-1995024268-A1 METALLOCENE CATALYST CONTAINING BULKY ORGANIC GROUP NORTHWESTERN UNIVERSITY (US) 1995-09-14 WO disclosed
CN-1014061-B The preparation method of pyrimidine derivatives ICI PLC (GB) 1991-09-25 CN disclosed
CN-86108825-A PYRIMIDINE DERIVATIVES 1987-07-22 CN disclosed
EP-0109606-B1 PROCESS FOR THE FORMYLATION OF ARYL HALIDES BAYER AG (DE) 1986-01-22 EP disclosed
US-4536344-A USING A PHOSPINE OR PHOSPHITE BAYER AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
EP-0109606-A1 Process for the formylation of aryl halides BAYER AG (DE) 1984-05-30 EP 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-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound KRAS, MGAM, CA3 CA1 190/4885CA2 119/4885CA4 257/4885
US-20240082830-A1 TRIARYL BORANE CATALYSTS AND METHOD FOR SELECTIVE HYDROSILYLATION OF ESTERS AND LACTONES USING SAID CATALYSTS TREH, STS, LSS CA1 735/4885CA2 1729/4885CA4 1174/4885

“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.