Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL9998667

CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)(O)O.[Na+]

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Tetrabuthylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.63
SLC22A2 O15244 1/20 0.55
TP53 P04637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DNM1 Q05193 5/20 0.46
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
Tetrabuthylammonium SCHEMBL9998666 0.97 SLC22A1 (0.60) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL27990806 0.97 SLC22A1 (0.67) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL243899 0.97 SLC22A1 (0.67) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL1078546 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL20550034 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL28650063 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL28652896 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL28646345 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL9795128 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4
Tetrabuthylammonium SCHEMBL27745678 0.95 SLC22A1 (0.63) SLC22A1SLC22A2TP53ALDH1A1CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582655-B1 METHOD FOR PRODUCING FILM-LIKE PRODUCT COMPRISING PI-ELECTRON CONJUGATED COMPOUND RICOH CO LTD (JP) 2022-03-30 EP disclosed
US-20160276110-A1 ELECTROCHEMICAL DEVICE PANASONIC CORPORATION (JP) 2016-09-22 US disclosed
EP-3067906-A1 ELECTROCHEMICAL DEVICE Panasonic Corporation (JP) 2016-09-14 EP disclosed
US-9356292-B2 Radical composition and battery using same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2016-05-31 US disclosed
US-9013023-B2 Photoelectric element having stacked charge-transport layers PANASONIC CORPORATION (JP) 2015-04-21 US disclosed
US-20140070202-A1 PHOTOELECTRIC ELEMENT PANASONIC CORPORATION (JP) 2014-03-13 US disclosed
US-20140061532-A1 RADICAL COMPOSITION AND BATTERY USING SAME WASEDA UNIVERSITY (JP) 2014-03-06 US disclosed
EP-2582655-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND Ricoh Company, Ltd. (JP) 2013-04-24 EP disclosed
US-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2013-04-18 US disclosed
WO-2011158953-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2011-12-22 WO 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 (1 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-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND THEM6, ORMDL3, INTS6 SLC22A1 931/4885SLC22A2 745/4885TP53 3872/4885

“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.