N,N-Dimethylethanaminium

N,N-Dimethylethanaminium

SCHEMBL447226

C=C(C)C(=O)OCC.CCN(C)C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 4/20 0.47
ALDH1A1 P00352 7/20 0.45
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
N,N-Dimethylethanaminium SCHEMBL15387358 0.98 THRB (0.52) THRBTSHRALDH1A1LMNAHSD17B10
N,N-Dimethylethanaminium SCHEMBL7866527 0.92 THRB (0.47) THRBTSHRALDH1A1LMNAHSD17B10
N,N-Dimethylethanaminium SCHEMBL8023985 0.92 THRB (0.47) THRBTSHRALDH1A1LMNAHSD17B10
N,N-Dimethylethanaminium SCHEMBL8023992 0.92 THRB (0.47) THRBTSHRALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL421649 0.91 THRB (0.57) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL29540021 0.89 THRB (0.52) THRBTSHRALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL332711 0.89 THRB (0.55) THRBTSHRALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL31612657 0.89 THRB (0.55) THRBTSHRALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL7150631 0.89 THRB (0.55) THRBTSHRALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL31612653 0.89 THRB (0.55) THRBTSHRALDH1A1LMNAHSD17B10

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-1825884-B1 Brightening and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-08-16 EP claimed
EP-1813260-B1 Bleaching and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-05-31 EP claimed
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2016-07-14 US disclosed
US-20140271520-A1 NON-WEIGHING HAIR PREPARATIONS HENKEL AG & CO., KGAA (DE) 2014-09-18 US disclosed
US-8802068-B2 Non-weighing hair preparations HENKEL AG & CO. KGAA (DE) 2014-08-12 US disclosed
US-20120251473-A1 NON-WEIGHING HAIR PREPARATIONS HENKEL AG & CO. KGAA (DE) 2012-10-04 US disclosed
US-20120201773-A1 UNENCUMBERING HAIR TREATMENT PRODUCT HENKEL AG & CO. KGAA (DE) 2012-08-09 US disclosed
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 US disclosed
US-20100215604-A1 Cosmetic Compositions with Chitosan and Silicone Elastomers HENKEL AG & CO. KGAA (DE) 2010-08-26 US disclosed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 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 (7 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 THRB 1924/4885TSHR 3654/4885ALDH1A1 27/4885
US-20100215604-A1 Cosmetic Compositions with Chitosan and Silicone Elastomers HDAC10, HDAC1, HDAC3 THRB 2318/4885TSHR 2265/4885ALDH1A1 2702/4885
US-20120201773-A1 UNENCUMBERING HAIR TREATMENT PRODUCT POLR1C, SPTAN1, SMURF1 THRB 1428/4885TSHR 3515/4885ALDH1A1 2968/4885
US-20120251473-A1 NON-WEIGHING HAIR PREPARATIONS KRT18, KRTCAP2, PSMB10 THRB 3201/4885TSHR 3113/4885ALDH1A1 3819/4885
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 THRB 688/4885TSHR 791/4885ALDH1A1 1739/4885
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION KRT18, YWHAZ, PHYKPL THRB 1286/4885TSHR 3495/4885ALDH1A1 4298/4885
US-20140271520-A1 NON-WEIGHING HAIR PREPARATIONS KRT18, KRTCAP2, PSMB10 THRB 3201/4885TSHR 3113/4885ALDH1A1 3819/4885

“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.