Betaine

Betaine

SCHEMBL135768

C=CC(=O)OC(C)[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)O

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

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

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL3887838 0.91 TSHR (0.34) TSHR
Water SCHEMBL15530721 0.90 TSHR (0.33) TSHR
SCHEMBL23794906 0.87 TSHR (0.33) TSHR
Betaine SCHEMBL821050 0.83 TSHR (0.34) TSHRALDH1A1LMNAAPEX1
SCHEMBL23794912 0.83 TSHR (0.36) TSHR
Betaine SCHEMBL907529 0.78 TSHR (0.34) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL3895955 0.77 TSHR (0.38) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL5167715 0.77 TSHR (0.41) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL3693558 0.76 TSHR (0.33) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL5170190 0.76 TSHR (0.43) TSHRALDH1A1LMNAAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008538-B2 Reduced misting alkaline and neutral cleaning, sanitizing, and disinfecting compositions via the use of high molecular weight water-in-oil emulsion polymers ECOLAB USA INC. (US) 2021-05-18 US claimed
US-20210079143-A1 STRENGTHENING RESINS AND PROCESSES FOR MAKING AND USING SAME ECOLAB USA INC. (US) 2021-03-18 US claimed
US-20190330573-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSTIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS ECOLAB USA INC. 2019-10-31 US claimed
US-10392587-B2 Reduced misting alkaline and neutral cleaning, sanitizing, and disinfecting compositions via the use of high molecular weight water-in-oil emulsion polymers ECOLAB USA INC. (US) 2019-08-27 US claimed
US-10370626-B2 Reduced misting acidic cleaning, sanitizing, and disinfecting compositions via the use of high molecular weight water-in-oil emulsion polymers ECOLAB USA INC. (US) 2019-08-06 US claimed
EP-3464541-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSITIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS Ecolab USA Inc. (US) 2019-04-10 EP claimed
US-10087082-B2 Stabilized silica colloid FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-10-02 US claimed
US-20180099072-A1 INJECTABLE TISSUE SUPPLEMENT TRUSTEES OF BOSTON UNIVERSITY (US) 2018-04-12 US claimed
WO-2017205334-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSITIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS ECOLAB USA INC. (US) 2017-11-30 WO claimed
US-20170335253-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSTIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS ECOLAB USA INC. 2017-11-23 US claimed
US-6709551-B2 FOR PAPERMAKING; ADJUSTMENT OF CONFINING, DRAINAGE OF FIBROUS SUSPENSION ONDEO NALCO COMPANY 2004-03-23 US claimed
US-20030155091-A1 High molecular weight cationic and anionic polymers comprising zwitterionic monomers ECOLAB USA INC. 2003-08-21 US claimed
US-6590051-B1 Polyampholytes used to increase retention and drainage in fiber suspensions or pulps used in papermaking; clarification ONDEO NALCO COMPANY 2003-07-08 US claimed
WO-2003054030-A2 POLY(VINYLALCOHOL)-CO-POLY(VINYLAMINE) POLYMERS COMPRISING FUNCTIOAL MOIETIES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-07-03 WO claimed
WO-2003037641-A2 INK JET RECORDING MEDIUM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO claimed
JP-2003504476-A 2003-02-04 JP claimed
EP-1198503-A1 HIGH MOLECULAR WEIGHT ZWITTERIONIC POLYMERS NALCO CHEMICAL COMPANY (US) 2002-04-24 EP claimed
US-6313246-B1 UNSATURATED QUATERNARY AMMONIUM OR SULFONIUM SALT AND NONIONIC MONOMERS ; WATER IN OIL EMULSION, DISPERSION OR GEL; PAPERMAKING NALCO CHEMICAL COMPANY 2001-11-06 US claimed
WO-2001004201-A1 HIGH MOLECULAR WEIGHT ZWITTERIONIC POLYMERS NALCO CHEMICAL COMPANY (US) 2001-01-18 WO claimed
US-5512277-A APPLYING CATIONIC POLYMER HAVING SALT FORMING GROUP TO SKIN, PEELING OFF AFTER DRYING KAO CORPORATION (JP) 1996-04-30 US claimed

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-20180099072-A1 INJECTABLE TISSUE SUPPLEMENT MMP1, COL1A1, MYOC TSHR 621/4885ALDH1A1 255/4885LMNA 2439/4885

“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.