SCHEMBL1082541

SCHEMBL1082541

CC1(C)CCCC(C)(C)N1[O].CC1(C)CCCC(C)(C)N1[O].CC1(C)CCCC(C)(C)N1[O].OP(O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2363259 1.00 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL6492 0.89 TSHR (0.39) TSHRNFKB1CYP2C19
Hypochlorous Acid SCHEMBL15633664 0.86 TSHR (0.40) TSHRNFKB1CYP2C19
Hno SCHEMBL15954661 0.83 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL6567522 0.83 TSHR (0.34) TSHRNFKB1CYP2C19
Phosphoric Acid SCHEMBL6824270 0.82 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL5084504 0.81 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL2812394 0.80 TSHR (0.41) TSHRNFKB1CYP2C19
SCHEMBL6628615 0.79 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL5096697 0.79 TSHR (0.34) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033283-A1 CONTINUOUS PROCESS FOR PRODUCING N-BUTYL (METH)ACRYLATE WITH A CATALYST RECIRCULATION SYSTEM BASF SE (DE) 2024-02-15 WO disclosed
WO-2024033279-A1 CONTINUOUS METHOD FOR PRODUCING N-BUTYL(METH)ACRYLATE INCLUDING A CATALYST RECIRCULATION PROCESS BASF SE (DE) 2024-02-15 WO disclosed
US-20180037531-A1 Inhibitor Combination for Lithium Salt-Catalyzed Transesterification Process and Method for Removing Lithium Salt DOW GLOBAL TECHNOLOGIES LLC (US) 2018-02-08 US disclosed
EP-3262129-A1 METHOD FOR PRODUCING ISOSORBIDE ETHOXYLATE DIMETHACRYLATE BASF SE (DE) 2018-01-03 EP disclosed
EP-3262130-A1 METHOD FOR PRODUCING ISOSORBIDE DIMETHACRYLATE BASF SE (DE) 2018-01-03 EP disclosed
US-9796650-B2 Inhibitor combination for lithium salt-catalyzed transesterification process and method for removing lithium salt DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-24 US disclosed
EP-3227265-A1 METHOD FOR PRODUCING HEONON(METH)ACRYLATE BASF SE (DE) 2017-10-11 EP disclosed
EP-3087049-A1 INHIBITOR COMBINATION FOR LITHIUM SALT-CATALYZED TRANSESTERIFICATION PROCESS AND METHOD FOR REMOVING LITHIUM SALT Dow Global Technologies Llc (US) 2016-11-02 EP disclosed
US-20160297736-A1 Inhibitor Combination for Lithium Salt-Catalyzed Transesterification Process and Method for Removing Lithium Salt DOW GLOBAL TECHNOLOGIES LLC 2016-10-13 US disclosed
US-9447201-B2 Polymerization inhibitor composition and method of inhibiting polymerization of distillable monomers DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-20 US disclosed
EP-1517942-A1 (METH)ACRYLIC ESTERS OF POLYALKOXYLATED GLYCERINE BASF AKTIENGESELLSCHAFT (DE) 2005-03-30 EP disclosed
EP-1516008-A1 (METH)ACRYLIC ESTERS OF POLYALKOXYLATED TRIMETHYLOLPROPANE BASF AKTIENGESELLSCHAFT (DE) 2005-03-23 EP disclosed
WO-2004108795-A1 (METH)ACRYLIC ESTER FOR ALKYLENYLENE GLYCOL AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 WO disclosed
WO-2004087790-A2 MIXTURES OF POLYALKOXYLATED TRIMETHYLOLPROPANE (METH)ACRYLATE BASF AKTIENGESELLSCHAFT (DE) 2004-10-14 WO disclosed
WO-2004050596-A1 METHOD FOR THE RECTIFYING SEPARATION OF LIQUIDS CONTAINING (METH)ACRYLIC MONOMERS IN A RECTIFICATION COLUMN BASF AKTIENGESELLSCHAFT (DE) 2004-06-17 WO disclosed
WO-2004048585-A2 ENZYMATIC SYNTHESIS OF POLYOL ACRYLATES BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 WO disclosed
US-6740528-B2 MONITORING REACTIVE IONS IN SAMPLE; OBTAIN SAMPLE, INCUBATE WITH MODULATOR OF IONIC ACTIVITY, ANALYZE WITH ELECTRON SPIN RESONANCE, COUNT REACTIVE IONS HAKUTO CO., LTD. (JP) 2004-05-25 US disclosed
WO-2003104301-A1 (METH)ACRYLIC ESTERS OF POLYALKOXYLATED GLYCERINE BASF AKTIENGESELLSCHAFT (DE) 2003-12-18 WO disclosed
WO-2003104300-A1 (METH)ACRYLIC ESTERS OF POLYALKOXYLATED TRIMETHYLOLPROPANE BASF AKTIENGESELLSCHAFT (DE) 2003-12-18 WO disclosed
US-20020048820-A1 Method for measuring concentration of stable free radical compound HAKUTO CO., LTD. 2002-04-25 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 (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-20160297736-A1 Inhibitor Combination for Lithium Salt-Catalyzed Transesterification Process and Method for Removing Lithium Salt ADH1C, ADH1A, MAP2K1 TSHR 3806/4885NFKB1 427/4885CYP2C19 711/4885
US-20180037531-A1 Inhibitor Combination for Lithium Salt-Catalyzed Transesterification Process and Method for Removing Lithium Salt ADH1C, ADH1A, MAP2K1 TSHR 3806/4885NFKB1 427/4885CYP2C19 711/4885

“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.