Beta-Alanine

Beta-Alanine

SCHEMBL8655760

CCC(=O)O.NCCC(=O)O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.59
HDAC11 Q96DB2 6/20 0.52
TSHR P16473 5/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
THRB P10828 2/20 0.52
BLM P54132 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GABRR1 P24046 2/20 0.52
GABRR3 A8MPY1 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABBR2 O75899 1/20 0.52
CYP1A2 P05177 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52

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
Beta-Alanine SCHEMBL28186061 0.88
Octane SCHEMBL8906765 0.88 GPR84 (0.62) HDAC11TSHRLMNAKMT2ABLM
Beta-Alanine SCHEMBL12544820 0.88 FFAR3 (0.46) FFAR3HDAC11TSHRLMNAKMT2A
Beta-Alanine SCHEMBL27479424 0.88
Beta-Alanine SCHEMBL20411566 0.87
Beta-Alanine SCHEMBL21500 0.87
Beta-Alanine SCHEMBL18281085 0.87
Beta-Alanine SCHEMBL23190 0.87 LMNA (0.65) FFAR3HDAC11TSHRLMNAKMT2A
Beta-Alanine SCHEMBL29449904 0.87
Beta-Alanine SCHEMBL18281080 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269890-B Detergent compositions containing maleic acid tetrapolymer 埃科莱布美国股份有限公司 2023-05-23 CN disclosed
CN-115052961-A Synergistic effect of amylase and oxygen bleach in warewashing applications 埃科莱布美国股份有限公司 2022-09-13 CN disclosed
CN-114269890-A Detergent compositions containing maleic acid tetrapolymers 埃科莱布美国股份有限公司 2022-04-01 CN disclosed
CN-104710696-B Cell size enlarging agent for polystyrene foam 欧文斯科宁知识产权资产有限公司 2021-08-31 CN disclosed
CN-111655829-A Curing liquid amine oxide, betaine and/or sulfobetaine surfactants with binders and optional carriers 埃科莱布美国股份有限公司 2020-09-11 CN disclosed
CN-111315718-A Molecules having one hydrophobic group and two identical hydrophilic ionic groups and compositions thereof 埃科莱布美国股份有限公司 2020-06-19 CN disclosed
CN-111107744-A Acidic/anionic antimicrobial and virucidal compositions and uses thereof 埃科莱布美国股份有限公司 2020-05-05 CN disclosed
CN-111093643-A Antimicrobial compositions effective against bacteria and fungi 特米尔有限公司 2020-05-01 CN disclosed
CN-109790114-A Novel chiral ligands, metallo-chelate, a variety of unnatural amino acids, the synthetic method of Malawi's promise and its key intermediate 中国科学院上海药物研究所 2019-05-21 CN disclosed
CN-107879963-A Novel chiral ligands, metallo-chelate, a variety of alpha-non-natural amino acids, the synthetic method of Malawi's promise and its key intermediate 中国科学院上海药物研究所 2018-04-06 CN disclosed
EP-0868211-A1 SURFACTANT BLEND OF ORGANOSILICONE AND SURFACTANTS USEFUL AS AGRICULTURAL ADJUVANTS RHONE-POULENC SURFACTANTS AND SPECIALTIES, L.P. (US) 1998-10-07 EP disclosed
WO-1997023281-A1 SURFACTANT BLEND OF ORGANOSILICONE AND SURFACTANTS USEFUL AS AGRICULTURAL ADJUVANTS RHONE-POULENC SURFACTANTS & SPECIALTIES, L.P. (US) 1997-07-03 WO disclosed
US-5597513-A Demulsifier composition and method of use DEFOREST ENTERPRISES, INC. 1997-01-28 US disclosed
US-5385695-A Demulsifier methods employing b-iminodipropionate COHEN ELLIOT (US) 1995-01-31 US disclosed