SCHEMBL234229

SCHEMBL234229

C[N+](C)(C)CC(=O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
APEX1 P27695 1/20 0.57
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
PHF8 Q9UPP1 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
MAPT P10636 1/20 0.36
FFAR3 O14843 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Water SCHEMBL5091743 0.97 TSHR (0.57) TSHRALDH1A1LMNAAPEX1LDHA
Bromide SCHEMBL29214983 0.97 TSHR (0.57) TSHRALDH1A1LMNAAPEX1LDHA
Hydrochloric Acid SCHEMBL28343096 0.97 LMNA (0.62) TSHRALDH1A1LMNAAPEX1LDHA
SCHEMBL12557080 0.78 TSHR (0.59) TSHRALDH1A1LMNAAPEX1MAPT
SCHEMBL2481796 0.76 CA4 (0.45) TSHRALDH1A1LMNAAPEX1FFAR3
Betaine SCHEMBL134333 0.76
Betaine SCHEMBL399905 0.76 TSHR (1.00) TSHRALDH1A1LMNAAPEX1LDHA
SCHEMBL14802247 0.74 MGAM (0.46) TSHRALDH1A1LMNAAPEX1MAPT
Betaine SCHEMBL1318276 0.73
Betaine SCHEMBL912129 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554254-B1 COMPOSITIONS AND METHODS THAT MODULATE BACTERIA IN A COMPANION ANIMAL NESTLE SA (CH) 2025-05-07 EP claimed
CN-119324053-A Model and index for evaluating aging delaying effect of estrogen replacement therapy and application of model and index 中国科学院北京基因组研究所(国家生物信息中心) 2025-01-17 CN claimed
EP-3321686-B1 BIOMARKERS RELATED TO INSULIN RESISTANCE PROGRESSION AND METHODS USING THE SAME METABOLON INC (US) 2024-03-13 EP claimed
US-11122821-B2 Compositions and methods that modulate bacteria in a companion animal SOCIETE DES PRODUITS NESTLE S.A. (CH) 2021-09-21 US claimed
US-20200221736-A1 COMPOSITIONS AND METHODS THAT MODULATE BACTERIA IN A COMPANION ANIMAL Société des Produits Nestlé S.A. (CH) 2020-07-16 US claimed
EP-3554254-A1 COMPOSITIONS AND METHODS THAT MODULATE BACTERIA IN A COMPANION ANIMAL Société des Produits Nestlé S.A. (CH) 2019-10-23 EP claimed
US-20180275144-A1 DIAGNOSTIC TOOLS FOR ALZHEIMER'S DISEASE PHARNEXT (FR) 2018-09-27 US claimed
WO-2018109665-A1 COMPOSITIONS AND METHODS THAT MODULATE BACTERIA IN A COMPANION ANIMAL NESTEC SA (CH) 2018-06-21 WO claimed
US-20180168196-A1 COMPOSITIONS AND METHODS THAT MODULATE BACTERIA IN A COMPANION ANIMAL Société des Produits Nestlé S.A. (CH) 2018-06-21 US claimed
EP-3321686-A1 BIOMARKERS RELATED TO INSULIN RESISTANCE PROGRESSION AND METHODS USING THE SAME Metabolon, Inc. (US) 2018-05-16 EP claimed
EP-2951313-B1 BIOMARKERS RELATED TO INSULIN RESISTANCE PROGRESSION AND METHODS USING THE SAME METABOLON INC (US) 2018-03-07 EP claimed
WO-2016124574-A1 DIAGNOSTIC TOOLS FOR ALZHEIMER'S DISEASE PHARNEXT (FR) 2016-08-11 WO claimed
US-20150362510-A1 Biomarkers Related to Insulin Resistance Progression and Methods Using the Same METABOLON, INC. 2015-12-17 US claimed
EP-2951313-A1 BIOMARKERS RELATED TO INSULIN RESISTANCE PROGRESSION AND METHODS USING THE SAME Metabolon, Inc. (US) 2015-12-09 EP claimed
WO-2014120449-A1 BIOMARKERS RELATED TO INSULIN RESISTANCE PROGRESSION AND METHODS USING THE SAME METABOLON, INC. (US) 2014-08-07 WO claimed
WO-2013188333-A1 BIOMARKERS RELATED TO NEPHROTOXICITY AND METHODS USING THE SAME METABOLON, INC. (US) 2013-12-19 WO claimed
EP-0349204-A2 Use and regeneration of reagents using coupled reactions and permselective barriers BEND RESEARCH, INC. (US) 1990-01-03 EP claimed
US-4221869-A Enzymatic synthesis of L-carnitine INSTITUT FRANCAIS DU PETROLE (FR) 1980-09-09 US claimed
JP-3061499-A None JP disclosed
JP-H00361499-A 0001-01-01 JP disclosed