N,N-Dimethylethanaminium

N,N-Dimethylethanaminium

SCHEMBL446273

C=C(CCC)C(N)=O.CCN(C)C

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
CTSD P07339 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HDAC6 Q9UBN7 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
Trimethylammonium SCHEMBL421126 0.91 TDP1 (0.38) TDP1CES2CES1HDAC3HDAC1
Trimethylammonium SCHEMBL28049127 0.89 TDP1 (0.36) TDP1CES2CES1HDAC3HDAC1
Trimethylammonium SCHEMBL2435214 0.89 TDP1 (0.36) TDP1CES2CES1HDAC3HDAC1
SCHEMBL422556 0.89
SCHEMBL9619166 0.87 TDP1 (0.35) TDP1CES2CES1HDAC3HDAC1
Ammonia Solution, Strong SCHEMBL8445489 0.86
Methylamine SCHEMBL4377431 0.86 CES2 (0.41) TDP1CES2CES1HDAC3HDAC1
SCHEMBL28204586 0.86
Hydrochloric Acid SCHEMBL6461485 0.86
Water SCHEMBL28252944 0.86

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 22 patents — showing the first 20. 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
WO-2005054548-A2 METHODS, COMPOSITIONS, AND KITS FOR PROTEIN CRYSTALLIZATION INVITROGEN CORPORATION (US) 2005-06-16 WO claimed
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2016-07-14 US disclosed
WO-2015062596-A1 HAIR TREATMENT AGENT CONTAINING L-CARNITINE OR AN L-CARNITINE DERIVATIVE AND AN OLIGOPEPTIDE CONTAINING THE SEQUENCE GLU-GLU-GLU HENKEL AG & CO. KGAA (DE) 2015-05-07 WO 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-20130319863-A1 METHODS, COMPOSITIONS, AND KITS FOR PROTEIN CRYSTALLIZATION Life Technologies Corporation (US) 2013-12-05 US disclosed
US-8444838-B2 Methods, compositions, and kits for protein crystallization Life Technologies Corporation (US) 2013-05-21 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-7850835-B2 Solution phase electrophoresis device, components, and methods Life Technologies Corporation (US) 2010-12-14 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
US-7622028-B2 Solution phase electrophoresis device, components, and methods Life Technologies Corporation (US) 2009-11-24 US disclosed
US-20090218547-A1 METHODS, COMPOSITIONS, AND KITS FOR PROTEIN CRYSTALLIZATION Life Technologies Corporation (US) 2009-09-03 US disclosed
CN-101394830-A Cosmetic agents comprising purine and/or purine derivatives I HENKEL KGAA (DE) 2009-03-25 CN disclosed
US-20050202405-A1 Methods, compositions, and kits for protein crystallization Life Technologies Corporation 2005-09-15 US disclosed
US-20050023141-A1 Solution phase electrophoresis device, components, and methods Life Technologies Corporation 2005-02-03 US disclosed
US-20050006239-A1 Solution phase electrophoresis device, components, and methods Life Technologies Corporation 2005-01-13 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 (8 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 TDP1 3165/4885CES2 1684/4885CES1 3064/4885
US-20100215604-A1 Cosmetic Compositions with Chitosan and Silicone Elastomers HDAC10, HDAC1, HDAC3 TDP1 3339/4885CES2 718/4885CES1 2736/4885
US-20120201773-A1 UNENCUMBERING HAIR TREATMENT PRODUCT POLR1C, SPTAN1, SMURF1 TDP1 4173/4885CES2 2489/4885CES1 4118/4885
US-20120251473-A1 NON-WEIGHING HAIR PREPARATIONS KRT18, KRTCAP2, PSMB10 TDP1 3411/4885CES2 2910/4885CES1 3537/4885
US-20130319863-A1 METHODS, COMPOSITIONS, AND KITS FOR PROTEIN CRYSTALLIZATION CHLSN, CPN1, CRYAA TDP1 2747/4885CES2 2657/4885CES1 1462/4885
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION KRT18, YWHAZ, PHYKPL TDP1 3582/4885CES2 3476/4885CES1 2616/4885
US-20140271520-A1 NON-WEIGHING HAIR PREPARATIONS KRT18, KRTCAP2, PSMB10 TDP1 3411/4885CES2 2910/4885CES1 3537/4885
US-20050006239-A1 Solution phase electrophoresis device, components, and methods PROC, RAB5IF, SPECC1L TDP1 715/4885CES2 1818/4885CES1 2125/4885

“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.