SCHEMBL6722261

SCHEMBL6722261

CC(C)C(C)(C)S(=O)(=O)O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
PIK3CD O00329 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
Sulfuric Acid SCHEMBL28491424 0.94 CA5A (0.33)
SCHEMBL28613246 0.79
SCHEMBL1179454 0.77 TP53 (0.33)
SCHEMBL1704310 0.73
SCHEMBL13671364 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5072251 0.73
SCHEMBL24839017 0.73
SCHEMBL31561437 0.73 TP53 (0.35) ALDH1A1
SCHEMBL10709232 0.71 ALDH1A1 (0.32) ALDH1A1CYP2C19
SCHEMBL14518752 0.71 ALDH1A1 (0.32) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2023-11-09 US disclosed
US-20230295457-A1 SURFACE TREATMENT LIQUID AND SURFACE TREATMENT METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-09-21 US disclosed
US-20170088683-A1 SURFACE TREATMENT LIQUID TOKYO OHKA KOGYO CO., LTD. (JP) 2017-03-30 US disclosed
US-7989655-B2 reacting hydrogen sulfide with vegetable oils, in the presence of catalysts, to form mercaptanized vegetable oils; chemical intermediates for polythiourethanes used in fertilizers coatings CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-08-02 US disclosed
US-7781484-B2 Thiol ester compositions and processes for making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-08-24 US disclosed
US-7713326-B2 Controlled release fertilizer material and process for production thereof AGRIUM INC. (CA) 2010-05-11 US disclosed
US-7557236-B2 Thiol ester compositions and processes for making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-07-07 US disclosed
EP-1676889-B1 Colored composition TOYO INK MFG CO (JP) 2009-04-15 EP disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-5597776-A ANTAGONIST FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
US-5559218-A AGRICULTURAL USE BASF AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
US-5523462-A HERBICIDES; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed
US-5514642-A HERBICIDES FOR PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed
WO-1996010561-A1 2-AROYLCYCLOHEXANDIONES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS HERBICIDES OR PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed
EP-0609259-B1 CYCLOHEXENONE DERIVATES USED AS HERBICIDES BASF AG (DE) 1995-11-22 EP disclosed
EP-0666254-A1 2-Aroylcydohexanediones, process for their preparation and their use as herbicide or as plant growth regulating agent BASF AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994004489-A1 CYCLOHEXENONOXIME ETHERS, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed
WO-1993008153-A1 CYCLOHEXENONE DERIVATES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed
EP-0537463-A2 Substituted pyrido(2,3-d)pyrimidines as antidotes BASF Aktiengesellschaft (DE) 1993-04-21 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 ALDH1A1 709/4885CYP2C19 415/4885PIK3CD 4537/4885
US-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE DDT, HDHD5, HPD ALDH1A1 1952/4885CYP2C19 900/4885PIK3CD 2895/4885

“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.